Geometry & MOs

Info

ID:	149311
PubChem CID:	53788983
Reduced:	PC5O7H9 (1)
Stoich.:	AB5C7D9 (1)
Weight, g/mol:	285.080121
ΔH_f, kcal/mol:	-360.74
Dipole, Da:	5.18
IP(EA), eV:	-11.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-fluorophenyl)prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC(=O)O)P(=O)(O)O

DOS

IR

Vibrations