[(1R,2S)-2-Carboxy-2-[(2-Formyl-5,6,7,8-Tetrahydro-1H-Indolizine-1,2,3,5,6,7,8,8A-Octaid-3-Yl)Amino]-1-Methyl-1-[(2-Phenylacetyl)Oxymethyl]Ethyl]-Hydroxy-Oxido-Sulfonium

Molecule SVG Image

Properties Simple | Detailed

Formula C22H32N2O7S+
IUPAC Name [(1r,2s)-2-carboxy-2-[(2-formyl-5,6,7,8-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]-1-methyl-1-[(2-phenylacetyl)oxymethyl]ethyl]-hydroxy-oxido-sulfonium
Molecular Mass 468.564 g·mol−1
Heat of Formation -930.4 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 506.29 Å 3
Surface Area 414.31 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey AUNSFBNNFJBEPX-KKYYKNETSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N