Geometry & MOs

Info

ID:	156193
PubChem CID:	56369461
Reduced:	ClSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	493.167142
ΔH_f, kcal/mol:	-100.47
Dipole, Da:	6.36
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-benzyl-2-hydroxybenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)CNC(=O)NCC2=CSC(=N2)C(C)(C)C)OC

DOS

IR

Vibrations