(S)-4-Cyano-N-(3-(Cyclopropyl(5,6,7,8,9,10-Hexahydro-4-Hydroxy-2-Oxo-2H-Cycloocta(B)Pyran-3-Yl)Methyl)Phenyl)Benzenesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H29N2O5S+
IUPAC Name 4-cyano-n-[3-[(s)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide
Molecular Mass 505.605 g·mol−1
Heat of Formation -461.0 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 598.05 Å 3
Surface Area 427.58 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
InChIKey VCYQENLVFRTJIC-VWLOTQADSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N