Ethyl N-[[4-[(3Z)-3-(4-Hydroxy-3-Isopropyl-6-Oxo-Cyclohexa-2,4-Dien-1-Ylidene)-5-Thioxo-1,2,4-Triazolidin-4-Yl]Phenyl]Methyl]Carbamate

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Properties Simple | Detailed

Formula C21H24N4O4S
IUPAC Name ethyl n-[[4-[(3z)-3-(4-hydroxy-3-isopropyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]phenyl]methyl]carbamate
Molecular Mass 428.505 g·mol−1
Heat of Formation -371.9 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 504.21 Å 3
Surface Area 392.16 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey CCWAFBYXFRWBRK-KNTRCKAVSA-N
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