Geometry & MOs

Info

ID:	392052
PubChem CID:	135012288
Reduced:	NSiO5C25H38 (1)
Stoich.:	ABC5D25E38 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-218.22
Dipole, Da:	1.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791873
Charge, e:	0

Chem-info

IUPAC name:

(9S,13R,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C=C2CC=[N+]3[C@]2(C[C@@H]1OC)C4=CC(=C(C=C4[C@@H](C3)O)OC)OC

DOS

IR

Vibrations