4-({1-[(E)-(2-Cyclohexyl-2-Hydroxyethylidene)Amino]-3-Ethyl-2-Oxooctahydrocyclopenta[D]Imidazol-5-Yl}Sulfanyl)Butanoic Acid

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Properties Simple | Detailed

Formula C20H33N3O4S
IUPAC Name 4-[[(3as,5r,6ar)-3-[(e)-[(2r)-2-cyclohexyl-2-hydroxy-ethylidene]amino]-1-ethyl-2-oxo-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]imidazol-5-yl]sulfanyl]butanoic acid
Molecular Mass 411.559 g·mol−1
Heat of Formation -786.9 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 505.07 Å 3
Surface Area 427.17 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey YDMMNNOYPGHBEY-LZAIDPNDSA-N
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