Geometry & MOs

Info

ID:	180046
PubChem CID:	76570186
Reduced:	ON3H17C23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	507.138341
ΔH_f, kcal/mol:	89.41
Dipole, Da:	5.45
IP(EA), eV:	-8.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chloro-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-ylidene)-2-oxo-1H-indol-5-yl]naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC2C=CC(=C3C4=C(C=CC(=C4)C5=CC=C(C=C5)N)NC3=O)N=C2C=C1

DOS

IR

Vibrations