Geometry & MOs

Info

ID:	134964
PubChem CID:	51790250
Reduced:	ClSN2O4C28H31 (1)
Stoich.:	ABC2D4E28F31 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-125.08
Dipole, Da:	8.29
IP(EA), eV:	-9.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(2R)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations