Geometry & MOs

Info

ID:	32591
PubChem CID:	7846934
Reduced:	NSO3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	3.55
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations