Geometry & MOs

Info

ID:	138138
PubChem CID:	52317430
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	423.139248
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	6.01
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(8-morpholin-4-yl-3-oxo-1H-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(C)C)SC1=CC=CC=C1OC

DOS

IR

Vibrations