Geometry & MOs

Info

ID:	68067
PubChem CID:	46507699
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	353.067952
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	6.61
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-(1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NN3C2=NC(=C(C3=O)CCOC(=O)C)C)NC4=CC=CC=C4

DOS

IR

Vibrations