Geometry & MOs

Info

ID:	121956
PubChem CID:	50787711
Reduced:	SO4N6C23H24 (1)
Stoich.:	AB4C6D23E24 (1)
Weight, g/mol:	480.157974
ΔH_f, kcal/mol:	-40.62
Dipole, Da:	2.71
IP(EA), eV:	-8.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations