Geometry & MOs

Info

ID:	121955
PubChem CID:	50787710
Reduced:	O3N6C23H24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	480.157974
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	5.2
IP(EA), eV:	-8.72(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)N5CCOCC5

DOS

IR

Vibrations