Geometry & MOs

Info

ID:	388868
PubChem CID:	134990486
Reduced:	NSSiO7C21H35 (1)
Stoich.:	ABCD7E21F35 (1)
Weight, g/mol:	629.377512
ΔH_f, kcal/mol:	-347.18
Dipole, Da:	7.33
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(3R,5R,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate

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

C[C@H]([C@@H]1[C@H](N(C1=O)C(C(=O)OCC=C)O)SC(=O)[C@H]2CCCO2)O[Si](C)(C)C(C)(C)C

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

C[C@H]([C@@H]1[C@H](N(C1=O)C(C(=O)OCC=C)O)SC(=O)[C@H]2CCCO2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):