Geometry & MOs

Info

ID:	31199
PubChem CID:	855139
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-5.67
Dipole, Da:	7.13
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3CC3

DOS

IR

Vibrations