Geometry & MOs

Info

ID:	380726
PubChem CID:	134971254
Reduced:	NSiO8C23H39 (1)
Stoich.:	ABC8D23E39 (1)
Weight, g/mol:	1098.649102
ΔH_f, kcal/mol:	-394.6
Dipole, Da:	4.69
IP(EA), eV:	-8.96(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15E,27E)-11-[(2R,4R,5S)-5-[(2R,4R,5R)-5-[(2S,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-16,26-diethyl-21,27-dihydroxy-14-(hydroxymethyl)-3,4,6,10,12,18,24-heptamethyl-30-oxapentacyclo[26.2.1.01,6.017,26.020,25]hentriaconta-4,15,18,27-tetraene-23,29,31-trione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)OC[C@@]1([C@@H](OC(=O)N1)[C@@H]([C@H](COCC2=CC=CC=C2)O)O)COCOC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)OC[C@@]1([C@@H](OC(=O)N1)[C@@H]([C@H](COCC2=CC=CC=C2)O)O)COCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):