Geometry & MOs

Info

ID:	70495
PubChem CID:	48413431
Reduced:	SN2O2C9H9 (2)
Stoich.:	AB2C2D9E9 (2)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	4.44
IP(EA), eV:	-8.7(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations