Geometry & MOs

Info

ID:	31425
PubChem CID:	855703
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	339.115381
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	2.97
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(C)C

DOS

IR

Vibrations