Geometry & MOs

Info

ID:	289865
PubChem CID:	104380245
Reduced:	OSN4C8H14 (1)
Stoich.:	ABC4D8E14 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	0.4
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1C=NNC1=S

DOS

IR

Vibrations