Geometry & MOs

Info

ID:	61671
PubChem CID:	26711667
Reduced:	BrClSN2O4C19H20 (1)
Stoich.:	ABCD2E4F19G20 (1)
Weight, g/mol:	478.035468
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	6.7
IP(EA), eV:	-9.46(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations