Geometry & MOs

Info

ID:	122924
PubChem CID:	50826774
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	499.250478
ΔH_f, kcal/mol:	-141.46
Dipole, Da:	7.89
IP(EA), eV:	-9.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NCC=C

DOS

IR

Vibrations