Geometry & MOs

Info

ID:	56581
PubChem CID:	17436421
Reduced:	ClFN2O2H16C19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	3.7
IP(EA), eV:	-9.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations