Geometry & MOs

Info

ID:	269108
PubChem CID:	103614201
Reduced:	ClION4H8C10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	434.91929
ΔH_f, kcal/mol:	48.38
Dipole, Da:	3.22
IP(EA), eV:	-9.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-iodophenyl)-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)Cl)NC(=O)CN2C=NC=N2

DOS

IR

Vibrations