N-[1-(3-Benzyl-1,4-Dioxohexahydropyrrolo[1,2-A]Pyrazin-2(1H)-Yl)-1-Oxo-2-Propanyl]-6-Methyl-9,10-Didehydroergoline-8-Carboxamide
Properties
Property | Value |
---|---|
Formula | C33H35N5O4 |
IUPAC Name | (6ar,9r)-n-[(1s)-2-[(3r,8ar)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3h-pyrrolo[1,2-a]pyrazin-2-yl]-1-methyl-2-oxo-ethyl]-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide |
Molecular Mass | 565.662 g·mol−1 |
Heat of Formation | -352.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.34 ± 1.08 D |
Volume | 667.79 Å 3 |
Surface Area | 527.71 Å 2 |
HOMO Energy | -8.22 ± 0.55 eV |
LUMO Energy | 2.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | LIASNZIDGPIYBA-YHOXBNMDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |