Geometry & MOs

Info

ID:

53961

PubChem CID:

14718463

Reduced:

NSiO2C29H49 (1)

Stoich.:

ABC2D29E49 (1)

Weight, g/mol:

432.342357

ΔHf, kcal/mol:

-192.67

Dipole, Da:

7.34

IP(EA), eV:

 -10.04(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trimethylsilyl 4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC(CCC(=O)O[Si](C)(C)CCC#N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

DOS

IR

Vibrations