Formula |
C31H29N5O3S2 |
IUPAC Name |
5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(4e)-4-(1,3-benzothiazol-2-ylhydrazono)tetralin-6-yl]thiazole-4-carboxylic acid |
Molecular Mass |
583.724 g·mol−1 |
Heat of Formation |
132.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.98 ± 1.08 D |
Volume |
667.24 Å 3 |
Surface Area |
594.04 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-1.59 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JKMWZKPAXZBYEH-JWHWKPFMSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
S
O
N
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