Geometry & MOs

Info

ID:	238139
PubChem CID:	92729724
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	11.41
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations