Geometry & MOs

Info

ID:	129160
PubChem CID:	51071796
Reduced:	SN3O4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	519.313078
ΔH_f, kcal/mol:	-159.24
Dipole, Da:	4.04
IP(EA), eV:	-9.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-octylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3CCCN(C3)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations