Geometry & MOs

Info

ID:	70508
PubChem CID:	48413448
Reduced:	O2S2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	6.96
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations