Methyl [({(E)-[(2-Nitro-4-Propoxyphenyl)Imino]Methyl}Sulfanyl)Methyl]Carbamate
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | H S C O N |