Formula |
C25H23N3O7S |
IUPAC Name |
5-[[2-[(2r)-2,3-diamino-3-oxo-propyl]sulfanylacetyl]amino]-2-(3,6-dihydroxy-9h-xanthen-9-yl)benzoic acid |
Molecular Mass |
509.531 g·mol−1 |
Heat of Formation |
-960.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.44 ± 1.08 D |
Volume |
566.55 Å 3 |
Surface Area |
483.2 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-0.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YQXANHSECNNVJK-IBGZPJMESA-N |
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Elements |
H
C
S
O
N
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