Geometry & MOs

Info

ID:	132187
PubChem CID:	51317967
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	356.110711
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	4.6
IP(EA), eV:	-8.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)N2CCCC2=O)OC)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations