Geometry & MOs

Info

ID:	134965
PubChem CID:	51790251
Reduced:	ClSN2O4C28H31 (1)
Stoich.:	ABC2D4E28F31 (1)
Weight, g/mol:	504.184956
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	5.38
IP(EA), eV:	-9.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(1R)-1-cyclohexyl-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]butanamide

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