Geometry & MOs

Info

ID:	272196
PubChem CID:	103734588
Reduced:	OSN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	399.94755
ΔH_f, kcal/mol:	105.91
Dipole, Da:	4.57
IP(EA), eV:	-9.42(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-3-chloro-4-iodobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(S3)C#N

DOS

IR

Vibrations