Geometry & MOs

Info

ID:	407428
PubChem CID:	135080085
Reduced:	NO3C36H45 (1)
Stoich.:	AB3C36D45 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	1.83
IP(EA), eV:	-9.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(13S,17S)-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)C[C@@H](CC1CCCCC1)C(=O)OC)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations