Geometry & MOs

Info

ID:	372847
PubChem CID:	131305932
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	315.93449
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	3.5
IP(EA), eV:	-10.83(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-iodo-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)S(=O)(=O)Cl)C#N

DOS

IR

Vibrations