Geometry & MOs

Info

ID:

53969

PubChem CID:

14718474

Reduced:

SiO3C27H44 (1)

Stoich.:

AB3C27D44 (1)

Weight, g/mol:

444.305972

ΔHf, kcal/mol:

-232.49

Dipole, Da:

8.12

IP(EA), eV:

-8.94(0.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(8S,9S,10R,11R,13S,14S,17R)-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)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations