Geometry & MOs

Info

ID:	124405
PubChem CID:	50882004
Reduced:	OSCl2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	288.041403
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	5.27
IP(EA), eV:	-8.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=S)N)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations