Geometry & MOs

Info

ID:	77485
PubChem CID:	49648325
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	359.099143
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	3.31
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 2-[[2-(3-fluorophenyl)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)OC(=O)CC3=CC4=CC=CC=C4NC3=O

DOS

IR

Vibrations