Geometry & MOs

Info

ID:	60675
PubChem CID:	26697398
Reduced:	Cl2N2S2O3C16H22 (1)
Stoich.:	A2B2C2D3E16F22 (1)
Weight, g/mol:	378.122498
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	1.89
IP(EA), eV:	-8.78(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations