Formula |
C17H25N3O6S |
IUPAC Name |
(2s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2h-pyrrole-5-carboxylic acid |
Molecular Mass |
399.462 g·mol−1 |
Heat of Formation |
-965.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.23 ± 1.08 D |
Volume |
469.35 Å 3 |
Surface Area |
378.74 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
2.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AGLQJULLKPLWOW-YBXAARCKSA-N |
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Elements |
H
C
S
O
N
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