Geometry & MOs

Info

ID:	174022
PubChem CID:	75713111
Reduced:	SN2O4C24H38 (1)
Stoich.:	AB2C4D24E38 (1)
Weight, g/mol:	500.270879
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	5.28
IP(EA), eV:	-9.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-N-[1-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]pentanamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C=CC)C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CCCC

DOS

IR

Vibrations