Methyl [({(E)-[(2-Nitro-4-Propoxyphenyl)Imino]Methyl}Sulfanyl)Methyl]Carbamate

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Formula C13H17N3O5S
IUPAC Name (methoxycarbonylamino)methyl (1e)-n-(2-nitro-4-propoxy-phenyl)methanimidothioate
Molecular Mass 327.356 g·mol−1
Heat of Formation -392.9 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 371.72 Å 3
Surface Area 342.47 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey GJAPTEZCCQHYLN-RIYZIHGNSA-N
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