Geometry & MOs

Info

ID:	437524
PubChem CID:	135226511
Reduced:	FNO4H12C18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	329.069951
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	4.95
IP(EA), eV:	-9.8(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(E)-2-carboxyethenyl]-2-fluorophenyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)F

DOS

IR

Vibrations