Geometry & MOs

Info

ID:	11379
PubChem CID:	114862
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	6.8
IP(EA), eV:	-9.64(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-trione

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=O)C4=O

DOS

IR

Vibrations