Geometry & MOs

Info

ID:	176010
PubChem CID:	75981442
Reduced:	SN2O3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	428.119464
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	3.04
IP(EA), eV:	-8.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)phenyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OC1=CC=CC=C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

DOS

IR

Vibrations