Geometry & MOs

Info

ID:	148155
PubChem CID:	53787817
Reduced:	NSiO2C19H29 (1)
Stoich.:	ABC2D19E29 (1)
Weight, g/mol:	396.212301
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	3.2
IP(EA), eV:	-8.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4-phenylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)(C3=CC=C(C=C3)[Si](C)(C)C)C(=O)OC

DOS

IR

Vibrations