Geometry & MOs

Info

ID:	45156
PubChem CID:	10508546
Reduced:	SiO8C37H58 (1)
Stoich.:	AB8C37D58 (1)
Weight, g/mol:	658.202834
ΔH_f, kcal/mol:	-414.52
Dipole, Da:	2.66
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,5R,7S,8R,11R,12R,13R,14S,15S,16R,18S)-2,13,15,16-tetraacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9-dioxatetracyclo[12.4.0.03,5.08,12]octadecan-18-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](CC(OC)OC)O[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@@](C)(CC(=O)OCC1=CC=CC=C1)OC(=O)C)OCC2=CC=CC=C2

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](CC(OC)OC)O[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@@](C)(CC(=O)OCC1=CC=CC=C1)OC(=O)C)OCC2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):