Geometry & MOs

Info

ID:

53965

PubChem CID:

14718469

Reduced:

NSiO2C24H37 (1)

Stoich.:

ABC2D24E37 (1)

Weight, g/mol:

427.290656

ΔHf, kcal/mol:

-148.68

Dipole, Da:

5.65

IP(EA), eV:

 -9.48(0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(3S,8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-dimethylsilyl]propanenitrile

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)CCC#N)C

DOS

IR

Vibrations