Geometry & MOs

Info

ID:	298460
PubChem CID:	117649960
Reduced:	N2S2O5C15H24 (1)
Stoich.:	A2B2C5D15E24 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-239.28
Dipole, Da:	4.08
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(8S,9S,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetonitrile

Drug info:

PubChemData

Smile

CSCCC(=O)NCCCOC(=O)CCN1C(=O)CC(C1=O)SC

DOS

IR

Vibrations