Geometry & MOs

Info

ID:	56599
PubChem CID:	17487150
Reduced:	SN2O4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	343.047217
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	6.89
IP(EA), eV:	-8.7(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-nitro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

DOS

IR

Vibrations