Geometry & MOs

Info

ID:	70482
PubChem CID:	48413413
Reduced:	O2S2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	377.098017
ΔH_f, kcal/mol:	-17.12
Dipole, Da:	3.17
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations