Geometry & MOs

Info

ID:	378233
PubChem CID:	134224309
Reduced:	ClFNO2H21C23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	413.033397
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	7.26
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[2-(2,6-dichlorophenyl)-2-oxoethanimidoyl]pyridin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CC(=C)C2=C(CCC=C2)NC3=C(C=C(C=C3)C(=O)O)F

DOS

IR

Vibrations