Geometry & MOs

Info

ID:	178112
PubChem CID:	76279493
Reduced:	ClFSN3O5H19C20 (1)
Stoich.:	ABCD3E5F19G20 (1)
Weight, g/mol:	372.054466
ΔH_f, kcal/mol:	-178.97
Dipole, Da:	10.77
IP(EA), eV:	-9.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dichlorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)N(C)CC1=C(C=CC=C1Cl)F)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations