Formula |
C22H32N6O10S2 |
IUPAC Name |
2-amino-5-[[2-(carboxymethylamino)-1-[[(4r)-4-(6-hydroxyhexylsulfanyl)-7-nitro-5h-2,1,3-benzoxadiazol-4-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
604.654 g·mol−1 |
Heat of Formation |
1874.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
22.13 ± 1.08 D |
Volume |
575.84 Å 3 |
Surface Area |
467.4 Å 2 |
HOMO Energy |
-7.93 ± 0.55 eV |
LUMO Energy |
-3.68 ± eV |
Point Group Symmetry |
C1
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InChIKey |
DZIARIAPFJPVSN-FBJOKTGGSA-N |
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Elements |
C
S
O
N
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