Geometry & MOs

Info

ID:	160113
PubChem CID:	57304795
Reduced:	OC4H6 (6)
Stoich.:	AB4C6 (6)
Weight, g/mol:	456.244664
ΔH_f, kcal/mol:	-273.68
Dipole, Da:	4.32
IP(EA), eV:	-8.15(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1(CCCC(C1)C=CC(CCCC2=CC(=C(C=C2)OC)OC)O)O

DOS

IR

Vibrations