Geometry & MOs

Info

ID:	373759
PubChem CID:	131319720
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	336.92473
ΔH_f, kcal/mol:	17.01
Dipole, Da:	8.98
IP(EA), eV:	-8.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-iodo-3-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C2C=CN=C2)N1)C(CO)N

DOS

IR

Vibrations