Geometry & MOs

Info

ID:	60677
PubChem CID:	26697401
Reduced:	ClFN2S2O3C16H22 (1)
Stoich.:	ABC2D2E3F16G22 (1)
Weight, g/mol:	408.074441
ΔH_f, kcal/mol:	-174.79
Dipole, Da:	3.65
IP(EA), eV:	-8.6(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentyl-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1CCCC1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations