Geometry & MOs

Info

ID:	229691
PubChem CID:	87568478
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	2.25
Dipole, Da:	5.03
IP(EA), eV:	-9.16(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14S)-6,10,13-trimethyl-15,16-dimethylidene-3-oxo-1,2,6,7,8,9,11,12,14,17-decahydrocyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CC=NN2C

DOS

IR

Vibrations