N-{N'-[4-Amino-5-(2-Cyano-1-Pyrrolidinyl)-5-Oxopentyl]Carbamimidoyl}-1,1,3,3,4,4,5,7,8-Nonamethyl-3,4-Dihydro-1H-Isochromene-6-Sulfonamide

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Formula C29H46N6O4S
IUPAC Name 2-[(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxo-pentyl]-1-(1,1,3,3,4,4,5,7,8-nonamethylisochroman-6-yl)sulfonyl-guanidine
Molecular Mass 574.778 g·mol−1
Heat of Formation -704.5 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 710.53 Å 3
Surface Area 499.15 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey IYXKUYDDNIPQKF-SFTDATJTSA-N
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