Geometry & MOs

Info

ID:	124514
PubChem CID:	50885841
Reduced:	O3N4H14C19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	480.1452
ΔH_f, kcal/mol:	7.3
Dipole, Da:	12.18
IP(EA), eV:	-9.04(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[5-[(E)-(1-butyl-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]-2-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N/N=C\2/C(=C(C(=O)NC2=O)C#N)C3=CC=CC=C3

DOS

IR

Vibrations