Geometry & MOs

Info

ID:	163547
PubChem CID:	58034125
Reduced:	ClNO4H20C27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	522.115791
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	3.97
IP(EA), eV:	-8.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chloro-N-methylanilino)benzoyl]-5-[2-(difluoromethoxy)anilino]benzoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)OC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations