Geometry & MOs

Info

ID:	70471
PubChem CID:	48413395
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	379.113667
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	4.7
IP(EA), eV:	-9.98(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-cyanoethyl(methyl)sulfamoyl]amino]piperidin-1-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations