Geometry & MOs

Info

ID:	373444
PubChem CID:	131315437
Reduced:	NSCl2O2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	337.92738
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	8.4
IP(EA), eV:	-10.48(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-2-iodo-5-methylsulfanylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations