5-Chloro-3-{2-[4-(2-Hydroxyethyl)-4-Oxido-1-Piperazinyl]-2-Oxoethyl}-1,3-Benzothiazol-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H18ClN3O4S
IUPAC Name 5-chloro-3-[2-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one
Molecular Mass 371.839 g·mol−1
Heat of Formation 1553.4 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 395.64 Å 3
Surface Area 368.5 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -3.15 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-3-[2-[4-(2-hydroxyethyl)-4-oxido-1-piperazin-4-iumyl]-2-oxoethyl]-1,3-benzothiazol-2-one
  • 5-chloro-3-[2-[4-(2-hydroxyethyl)-4-oxido-piperazin-4-ium-1-yl]-2-keto-ethyl]-1,3-benzothiazol-2-one
  • 5-chloro-3-[2-[4-(2-hydroxyethyl)-4-oxido-piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,3-benzothiazol-2-one
  • 5-chloro-3-[2-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one
InChIKey RWMRSWDIYWVQIY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl S O N