Geometry & MOs

Info

ID:	27197
PubChem CID:	819441
Reduced:	NO2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-29.49
Dipole, Da:	3.63
IP(EA), eV:	-9.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-benzyl-1,1-dioxo-4-propan-2-yl-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC=CO2

DOS

IR

Vibrations