Geometry & MOs

Info

ID:	60558
PubChem CID:	26697189
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	460.04489
ΔH_f, kcal/mol:	-118.78
Dipole, Da:	6.68
IP(EA), eV:	-8.75(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Br

DOS

IR

Vibrations