Geometry & MOs

Info

ID:	70494
PubChem CID:	48413430
Reduced:	ClO2S2N3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	418.076947
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	2.41
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations