Geometry & MOs

Info

ID:	77484
PubChem CID:	49647614
Reduced:	SN2O4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	351.092915
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	7.59
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=CC=C21)S(=O)(=O)NC(=O)C3=CC=CC=C3OC4=CN=CC=C4

DOS

IR

Vibrations