Geometry & MOs

Info

ID:	77494
PubChem CID:	49648468
Reduced:	ClSO2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-22.14
Dipole, Da:	4.33
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C(=N2)C(=O)OC3CSCC4=CC=CC=C34)Cl

DOS

IR

Vibrations