Formula |
C16H19N3O4S |
IUPAC Name |
2-[(4z)-2-[(1s)-1-amino-3-methylsulfanyl-propyl]-4-[(4-hydroxyphenyl)methylene]-5-oxo-imidazol-1-yl]acetic acid |
Molecular Mass |
349.405 g·mol−1 |
Heat of Formation |
-465.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.99 ± 1.08 D |
Volume |
410.18 Å 3 |
Surface Area |
362.4 Å 2 |
HOMO Energy |
-8.45 ± 0.55 eV |
LUMO Energy |
-1.60 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NRAOUAPLRQEFMH-OEMOTLHWSA-N |
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Elements |
H
C
S
O
N
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