Geometry & MOs

Info

ID:	60559
PubChem CID:	26697190
Reduced:	Cl2N2S2O3C19H22 (1)
Stoich.:	A2B2C2D3E19F22 (1)
Weight, g/mol:	460.04489
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	4.16
IP(EA), eV:	-8.45(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations