Geometry & MOs

Info

ID:	67727
PubChem CID:	46507042
Reduced:	S2N4O4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-68.61
Dipole, Da:	2.16
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations