Geometry & MOs

Info

ID:	238112
PubChem CID:	92729696
Reduced:	SN3O4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-160.17
Dipole, Da:	4.98
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(cyclohexylmethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCC4CCCCC4

DOS

IR

Vibrations