Geometry & MOs

Info

ID:	62839
PubChem CID:	26737183
Reduced:	SN3O6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	434.98284
ΔH_f, kcal/mol:	-183.46
Dipole, Da:	5.22
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CNC(=S)N(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations