Geometry & MOs

Info

ID:	41798
PubChem CID:	8147124
Reduced:	OSCl2N3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	387.085304
ΔH_f, kcal/mol:	23.81
Dipole, Da:	2.66
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(N=C3)Cl)Cl

DOS

IR

Vibrations