Geometry & MOs

Info

ID:	135081
PubChem CID:	51810405
Reduced:	Cl2N2O3C24H28 (1)
Stoich.:	A2B2C3D24E28 (1)
Weight, g/mol:	490.213758
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	1.88
IP(EA), eV:	-9.42(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dihydroxy-N-[(2S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C1=C(C=CC=C1Cl)Cl)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations