Geometry & MOs

Info

ID:	124318
PubChem CID:	50878526
Reduced:	NSH15C20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	103.09
Dipole, Da:	3.32
IP(EA), eV:	-8.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10'R,13'S)-10',13'-dimethyl-7'-oxospiro[1,3-dioxolane-2,17'-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C4=CC=CS4

DOS

IR

Vibrations