Geometry & MOs

Info

ID:	378107
PubChem CID:	134224179
Reduced:	N2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	447.024055
ΔH_f, kcal/mol:	-14.26
Dipole, Da:	10.42
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2,6-dichlorophenyl)-3-oxoprop-1-en-2-yl]-5-fluoroanilino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(=N)C2=CC=CC=C2NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations