Geometry & MOs

Info

ID:	196811
PubChem CID:	78881219
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	386.154289
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	5.54
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations