Geometry & MOs

Info

ID:

215163

PubChem CID:

85084291

Reduced:

SiN2O5H44C46 (1)

Stoich.:

AB2C5D44E46 (1)

Weight, g/mol:

733.403726

ΔHf, kcal/mol:

-96.86

Dipole, Da:

4.95

IP(EA), eV:

 -9.21(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CN=C(C=C3)CC4C(=O)OC(C(N4C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations