Geometry & MOs

Info

ID:	27422
PubChem CID:	821267
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	9.64
Dipole, Da:	8.4
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2C(=O)NNC(=S)NC3=CC=CC=C3

DOS

IR

Vibrations