Geometry & MOs

Info

ID:	297319
PubChem CID:	117615025
Reduced:	NF2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	333.0404
ΔH_f, kcal/mol:	-180.68
Dipole, Da:	4.44
IP(EA), eV:	-9.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carboxyphenyl)methylcarbamoyl]-5-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1C(=O)NCC2=CC=CC=C2OC(F)F

DOS

IR

Vibrations