[1-Cyano-2-(2-Cyanoethynylsulfanyl)Ethyl]Sulfanylmethanolate; Formaldehyde; (8E)-6-(Hydroxymethyl)-1-Oxa-5,8-Diaza-6Λ3-Cupracycloundec-8-Ene-3,9,10-Tricarbonitrile

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Properties Simple | Detailed

Formula C19H22CuN7O4S2
IUPAC Name [1-cyano-2-(2-cyanoethynylsulfanyl)ethyl]sulfanylmethanolate; formaldehyde; (8e)-6-(hydroxymethyl)-1-oxa-5,8-diaza-6λ3-cupracycloundec-8-ene-3,9,10-tricarbonitrile
Molecular Mass 540.098 g·mol−1
Heat of Formation 1459.0 ± 16.7 kJ·mol−1
Dipole Moment 11.35 ± 1.08 D
Volume 532.4 Å 3
Surface Area 407.52 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -2.34 ± eV
Point Group Symmetry C1
InChIKey CHYKOBKORKBVNA-ASLYYHTLSA-L
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Elements S C O Cu N