Geometry & MOs

Info

ID:	155719
PubChem CID:	56367141
Reduced:	N3O3S3C21H23 (1)
Stoich.:	A3B3C3D21E23 (1)
Weight, g/mol:	489.175599
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	1.12
IP(EA), eV:	-9.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CC3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations