Geometry & MOs

Info

ID:	43797
PubChem CID:	10321805
Reduced:	ClNSF3O4H13C20 (1)
Stoich.:	ABCD3E4F13G20 (1)
Weight, g/mol:	455.074026
ΔH_f, kcal/mol:	-244.23
Dipole, Da:	1.37
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations