Geometry & MOs

Info

ID:	155736
PubChem CID:	56367274
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	438.083863
ΔH_f, kcal/mol:	-160.82
Dipole, Da:	12.72
IP(EA), eV:	-8.96(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methylsulfanyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations