(1S,7S,14S,18S)-14-(4,4-Dichloropentyl)-18-(2-Hydroxy-2-Propanyl)-7-Isopropyl-15,15-Dimethyl-13,17-Dioxa-9,20-Dithia-3,6,22,23-Tetraazatricyclo[17.2.1.1~8,11~]Tricosa-8(23),10,19(22)-Triene-2,5,12,16-Tetrone

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Properties Simple | Detailed

Formula C28H21Cl2N4O7S2
IUPAC Name carbon dioxide; [(1s)-1-[[3-cyano-7-[(z)-4,5-dichloropent-4-en-2-ynyl]-9-oxo-2-prop-1-ynyl-3,5,6,7-tetrahydrothiazolo[4,3-c][1,4]oxazepin-2-ium-6-yl]methyl]-5-(oxomethylene)-2-prop-1-ynyl-thiazole-1,3-diium-4-carbonyl]-methylidyne-ammonium; formaldehyde
Molecular Mass 660.525 g·mol−1
Heat of Formation 2352.6 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 674.06 Å 3
Surface Area 535.38 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -2.72 ± eV
Point Group Symmetry C1
InChIKey XZRCVAJXDSWDNB-DJABAAGCSA-N
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Elements S N C O Cl