Geometry & MOs

Info

ID:	61916
PubChem CID:	26715801
Reduced:	SN3O6C24H31 (1)
Stoich.:	AB3C6D24E31 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-201.22
Dipole, Da:	6.15
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)CC3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations