Formula |
C8H13N3O5S |
IUPAC Name |
3-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazol-3-ium-2-ylium-4-ol |
Molecular Mass |
263.271 g·mol−1 |
Heat of Formation |
-449.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.92 ± 1.08 D |
Volume |
282.51 Å 3 |
Surface Area |
260.26 Å 2 |
HOMO Energy |
-9.27 ± 0.55 eV |
LUMO Energy |
-0.15 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1h-imidazol-5-ol, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
- 3-(2-ethylsulfonylethyl)-2-methyl-5-nitro-4-imidazolol
- 3-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazol-4-ol
- 3-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazol-4-ol
- ethyl 2-(5-hydroxy-2-methyl-4-nitro-1-imidazolyl)ethylsulfone
- hmnies
|
CAS Number(s) |
|
InChIKey |
ZJWKRPPNTALLIT-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|