Geometry & MOs

Info

ID:	238111
PubChem CID:	92729695
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-179.24
Dipole, Da:	7.65
IP(EA), eV:	-9.11(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCC[C@@H](C2)C(=O)NCC3CCCCC3

DOS

IR

Vibrations