Geometry & MOs

Info

ID:

53967

PubChem CID:

14718472

Reduced:

NSiO3C26H39 (1)

Stoich.:

ABC3D26E39 (1)

Weight, g/mol:

441.269921

ΔHf, kcal/mol:

-195.05

Dipole, Da:

6.04

IP(EA), eV:

 -9.86(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy-dimethylsilyl]propanenitrile

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O[Si](C)(C)CCC#N)C

DOS

IR

Vibrations