Geometry & MOs

Info

ID:	77495
PubChem CID:	49648470
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	1.73
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

C1C(C(=O)NC2=CC=CC=C21)CCC(=O)OC3CSCC4=CC=CC=C34

DOS

IR

Vibrations