Geometry & MOs

Info

ID:

53966

PubChem CID:

14718471

Reduced:

NSiO2C26H41 (1)

Stoich.:

ABC2D26E41 (1)

Weight, g/mol:

441.269921

ΔHf, kcal/mol:

-161.93

Dipole, Da:

8.39

IP(EA), eV:

 -9.38(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(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)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)CCC#N)C)C

DOS

IR

Vibrations