Geometry & MOs

Info

ID:	372988
PubChem CID:	131308119
Reduced:	NOSF2H5C9 (1)
Stoich.:	ABCD2E5F9 (1)
Weight, g/mol:	315.93449
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	4.72
IP(EA), eV:	-9.3(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-iodo-4-nitrobenzonitrile

Drug info:

PubChemData

Smile

CSC1=C(C(=C(C=C1)C(=O)C#N)F)F

DOS

IR

Vibrations