Geometry & MOs

Info

ID:	121896
PubChem CID:	50785899
Reduced:	OSN4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	471.136511
ΔH_f, kcal/mol:	114.34
Dipole, Da:	4.19
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC3=NC(=NO3)C4=CC=CC=C4)C

DOS

IR

Vibrations