Geometry & MOs

Info

ID:	124448
PubChem CID:	50883993
Reduced:	ClN2O4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	321.074956
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	9.23
IP(EA), eV:	-9.09(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)O)C3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations