Geometry & MOs

Info

ID:	310026
PubChem CID:	126572951
Reduced:	OSC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	226.038985
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	5.38
IP(EA), eV:	-9.17(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-amino-4-fluoro-6-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)SCCC(=O)O

DOS

IR

Vibrations