[2-(Allylamino)-4-Amino-Thiazol-3-Ium-5-Id-5-Yl]-(3-Nitrophenyl)Methanone

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Properties Simple | Detailed

Formula C13H13N4O3S
IUPAC Name [2-(allylamino)-4-amino-thiazol-3-ium-5-id-5-yl]-(3-nitrophenyl)methanone
Molecular Mass 305.332 g·mol−1
Heat of Formation 107.5 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 334.74 Å 3
Surface Area 312.99 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey LSRKBWYPVOGKEQ-UHFFFAOYSA-N
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