Geometry & MOs

Info

ID:	85714
PubChem CID:	49878447
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	423.165034
ΔH_f, kcal/mol:	64.14
Dipole, Da:	2.89
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C4C=CC=CN4N=C3

DOS

IR

Vibrations