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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |