Geometry & MOs

Info

ID:

53968

PubChem CID:

14718473

Reduced:

NSiO3C26H39 (1)

Stoich.:

ABC3D26E39 (1)

Weight, g/mol:

444.305972

ΔHf, kcal/mol:

-182.97

Dipole, Da:

7.61

IP(EA), eV:

 -9.6(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-acetyl-11-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O[Si](C)(C)CCC#N)C

DOS

IR

Vibrations