Geometry & MOs

Info

ID:	378109
PubChem CID:	134224181
Reduced:	NCl2F2O3H11C21 (1)
Stoich.:	AB2C2D3E11F21 (1)
Weight, g/mol:	418.10842
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	5.4
IP(EA), eV:	-8.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[3-(2-chloro-6-cyclopropylphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)N(C=C2OC3=C(C=CC=C3Cl)Cl)C4=C(C=C(C=C4)C(=O)O)F

DOS

IR

Vibrations