Geometry & MOs

Info

ID:	378130
PubChem CID:	134224203
Reduced:	Cl2O3C30H30 (1)
Stoich.:	A2B3C30D30 (1)
Weight, g/mol:	447.059753
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	8.54
IP(EA), eV:	-9.39(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[2-[2-chloro-6-(trifluoromethyl)phenyl]-2-oxoethanimidoyl]pyridin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCC(C)C(CCC1=CC=C(C=C1)C(=O)O)CC2=CC=CC=C2C(=C)C(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations