Geometry & MOs

Info

ID:	163542
PubChem CID:	58034070
Reduced:	ClN3O5H24C29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	487.118651
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	4.77
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chloro-N-methylanilino)benzoyl]-5-(3-methoxyphenoxy)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1OC)C2=CC(=CC(=C2)C(=O)O)C(=O)C3=NC=C(C=C3)N(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations