Geometry & MOs

Info

ID:	268209
PubChem CID:	103598386
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	2.03
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-2-enyl 3-(4-oxocinnolin-1-yl)propanoate

Drug info:

PubChemData

Smile

CCSCCOC(=O)C=CC1=CC(=CC=C1)OC

DOS

IR

Vibrations