Geometry & MOs

Info

ID:	19680
PubChem CID:	570242
Reduced:	NCl2O3H13C20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	385.027249
ΔH_f, kcal/mol:	-61.1
Dipole, Da:	5.29
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-benzoyl-2,4-dichloroanilino)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations