Geometry & MOs

Info

ID:	67725
PubChem CID:	46507038
Reduced:	S2N4O5C26H30 (1)
Stoich.:	A2B4C5D26E30 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	4.97
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CS5

DOS

IR

Vibrations