3-(1,1-Dioxido-1,2-Thiazinan-2-Yl)-5-(Ethylamino)-N-{(2S,3R)-3-Hydroxy-1-Phenyl-4-[(1S)-1,2,3,4-Tetrahydro-1-Naphthalenylamino]-2-Butanyl}Benzamide

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Properties Simple | Detailed

Formula C33H42N4O4S
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[(1s)-tetralin-1-yl]amino]propyl]-3-[(2r)-1,1-dioxothiazinan-2-yl]-5-(ethylamino)benzamide
Molecular Mass 590.776 g·mol−1
Heat of Formation -572.6 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 630.03 Å 3
Surface Area 524.17 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey OAOKRIOFVOASEG-OWHBQTKESA-N
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