Geometry & MOs

Info

ID:	171562
PubChem CID:	75394552
Reduced:	N2S3O4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	400.060818
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	3.84
IP(EA), eV:	-8.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(5-oxo-2H-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCSSCC3

DOS

IR

Vibrations