1-{[(2R)-2-Acetamido-2-Carboxyethyl]Sulfanyl}-2-Amino-3-Oxo-3H-Phenoxazine-8-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C18H15N3O7S |
IUPAC Name | 9-[(2r)-2-acetamido-2-carboxy-ethyl]sulfanyl-8-amino-7-oxo-phenoxazine-2-carboxylic acid |
Molecular Mass | 417.393 g·mol−1 |
Heat of Formation | -926.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.25 ± 1.08 D |
Volume | 450.15 Å 3 |
Surface Area | 382.34 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | 0.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | KUPQDUIOULXTJZ-JTQLQIEISA-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 |