Geometry & MOs

Info

ID:	124559
PubChem CID:	50887248
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-7.02
Dipole, Da:	4.27
IP(EA), eV:	-8.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[(E)-[5-cyano-4-methyl-1-(2-methylpropyl)-2,6-dioxopyridin-3-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)OCC2=CC=CC=C2)C=NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations