Geometry & MOs

Info

ID:	77486
PubChem CID:	49648393
Reduced:	FNSO3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	395.086115
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	2.03
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)OC(=O)CNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations