Geometry & MOs

Info

ID:	70492
PubChem CID:	48413427
Reduced:	S2O3N4C18H26 (1)
Stoich.:	A2B3C4D18E26 (1)
Weight, g/mol:	382.113333
ΔH_f, kcal/mol:	-86.3
Dipole, Da:	3.22
IP(EA), eV:	-8.6(-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]morpholine-4-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations