Geometry & MOs

Info

ID:	70507
PubChem CID:	48413447
Reduced:	O2S2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	401.123169
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	4.04
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations