Geometry & MOs

Info

ID:	124454
PubChem CID:	50884077
Reduced:	NOCl2H6C11 (2)
Stoich.:	ABC2D6E11 (2)
Weight, g/mol:	430.152872
ΔH_f, kcal/mol:	53.36
Dipole, Da:	1.48
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[5-[(E)-(5-cyano-4-methyl-2,6-dioxo-1-prop-2-enylpyridin-3-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=CC=C(O2)/C=N/N=C/C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)Cl

DOS

IR

Vibrations