Geometry & MOs

Info

ID:	121898
PubChem CID:	50785954
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	499.131425
ΔH_f, kcal/mol:	-9.65
Dipole, Da:	4.05
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methylphenyl)sulfanyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)NC(=C2)C4=CC=CC=C4

DOS

IR

Vibrations