Geometry & MOs

Info

ID:	172939
PubChem CID:	75574387
Reduced:	N2Cl3O4H13C22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	420.095751
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	8.18
IP(EA), eV:	-9.02(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(5-cyano-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations