Geometry & MOs

Info

ID:	53972
PubChem CID:	14718477
Reduced:	NSiO3C26H39 (1)
Stoich.:	ABC3D26E39 (1)
Weight, g/mol:	402.259022
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	5.56
IP(EA), eV:	-9.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-10,13-dimethyl-17-trimethylsilyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations