N-[(2S)-3,3-Dihydroxy-1-Phenyl-4-(Tetrahydro-2H-Pyran-4-Ylamino)-2-Butanyl]-6-Ethyl-1-Methyl-1,3,4,6-Tetrahydro[1,2]Thiazepino[5,4,3-Cd]Indole-8-Carboxamide 2,2-Dioxide

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Formula C29H38N4O6S
IUPAC Name n-[(2s)-3,3-dihydroxy-1-phenyl-4-(tetrahydro-2h-pyran-4-ylamino)-2-butanyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide
Molecular Mass 570.700 g·mol−1
Heat of Formation -920.8 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 670.24 Å 3
Surface Area 526.55 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey LMEDJLLRHRUTJN-SANMLTNESA-N
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