Formula |
C21H30N2O3S |
IUPAC Name |
3-[dimethylamino-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid |
Molecular Mass |
390.539 g·mol−1 |
Heat of Formation |
-348.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.35 ± 1.08 D |
Volume |
496.24 Å 3 |
Surface Area |
416.73 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
-1.46 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LATMUSXHHVOIII-SHTZXODSSA-N |
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Elements |
H
C
S
O
N
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