Geometry & MOs

Info

ID:	149888
PubChem CID:	53789569
Reduced:	O9C30H32 (1)
Stoich.:	A9B30C32 (1)
Weight, g/mol:	498.197714
ΔH_f, kcal/mol:	-293.06
Dipole, Da:	4.9
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10bR)-4,10b-dimethyl-8-[1-(4-methylphenyl)sulfonylindol-5-yl]-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C(=C(C2=CC(=CC(=C2)OC)OC)C(=O)O)CC3=C(C=C(C=C3OC)OC)OC)OC

DOS

IR

Vibrations