Geometry & MOs

Info

ID:	179502
PubChem CID:	76490595
Reduced:	SO5C7H8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	429.233765
ΔH_f, kcal/mol:	-187.43
Dipole, Da:	4.08
IP(EA), eV:	-9.84(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a,11a-dimethyl-6-methylsulfonyl-9-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C1CC(=O)C(=CS(=O)O)C1C(=O)O

DOS

IR

Vibrations