Geometry & MOs

Info

ID:	201183
PubChem CID:	79502546
Reduced:	ClN4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	371.95418
ΔH_f, kcal/mol:	83.89
Dipole, Da:	3.77
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=C(N=N2)N)Cl

DOS

IR

Vibrations