Geometry & MOs

Info

ID:

53957

PubChem CID:

14718459

Reduced:

NOSiC32H55 (1)

Stoich.:

ABCD32E55 (1)

Weight, g/mol:

401.275006

ΔHf, kcal/mol:

-139.19

Dipole, Da:

5.52

IP(EA), eV:

 -9.16(1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy-dimethylsilyl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)CCCC(C)[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