Geometry & MOs

Info

ID:	121957
PubChem CID:	50787712
Reduced:	SO4N6C23H24 (1)
Stoich.:	AB4C6D23E24 (1)
Weight, g/mol:	396.110151
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	4.42
IP(EA), eV:	-8.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)N5CCSCC5

DOS

IR

Vibrations