Geometry & MOs

Info

ID:	9545
PubChem CID:	90756
Reduced:	NCl2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	337.027249
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	4.35
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-benzoyl-3,4-dichloroanilino)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations