Geometry & MOs

Info

ID:	238177
PubChem CID:	92729762
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	9.89
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations