1-[(4-Methoxyphenyl)Methyl]-3-(5-Nitrothiazol-3-Ium-5-Id-2-Yl)Urea

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Formula C12H13N4O4S
IUPAC Name 1-[(4-methoxyphenyl)methyl]-3-(5-nitrothiazol-3-ium-5-id-2-yl)urea
Molecular Mass 309.321 g·mol−1
Heat of Formation -75.0 ± 16.7 kJ·mol−1
Dipole Moment 10.48 ± 1.08 D
Volume 333.45 Å 3
Surface Area 319.85 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
InChIKey LEFZYSCJWWADOS-UHFFFAOYSA-N
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