Geometry & MOs

Info

ID:	146117
PubChem CID:	53638173
Reduced:	ClSN2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	324.20893
ΔH_f, kcal/mol:	59.23
Dipole, Da:	4.17
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,13S,14S,17R)-2,13-dimethyl-16-methylidene-17-(2-oxoethenyl)-1,2,4,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=CN=C(N1)C2=CC=C(S2)Cl

DOS

IR

Vibrations