Geometry & MOs

Info

ID:	65080
PubChem CID:	29204438
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	486.104992
ΔH_f, kcal/mol:	-167.55
Dipole, Da:	3.27
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-butylphenyl)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations