[1-[(E)-(Carbamothioylhydrazono)Methyl]-5-Isoquinolyl] Ethyl Carbonate

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Formula C14H14N4O3S
IUPAC Name [1-[(e)-(carbamothioylhydrazono)methyl]-5-isoquinolyl] ethyl carbonate
Molecular Mass 318.351 g·mol−1
Heat of Formation -84.3 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 358.2 Å 3
Surface Area 338.42 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey XIMGQUIUQZZVMB-CAOOACKPSA-N
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