Geometry & MOs

Info

ID:

53960

PubChem CID:

14718462

Reduced:

NSiO2C29H49 (1)

Stoich.:

ABC2D29E49 (1)

Weight, g/mol:

471.353256

ΔHf, kcal/mol:

-197.29

Dipole, Da:

7.15

IP(EA), eV:

 -10.11(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-cyanoethyl(dimethyl)silyl] 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)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

DOS

IR

Vibrations