Geometry & MOs

Info

ID:	70476
PubChem CID:	48413401
Reduced:	O2S2N5C15H17 (1)
Stoich.:	A2B2C5D15E17 (1)
Weight, g/mol:	408.165369
ΔH_f, kcal/mol:	10.8
Dipole, Da:	4.53
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CNN=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations