Geometry & MOs

Info

ID:	140064
PubChem CID:	52639098
Reduced:	SCl2N2O3C16H22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	381.118084
ΔH_f, kcal/mol:	-140.78
Dipole, Da:	3.49
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-1-butylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations