Geometry & MOs

Info

ID:	73538
PubChem CID:	48418071
Reduced:	SF2O2N3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	1.18
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)COC2=C(C=C(C=C2)F)F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations