(5'α)-5'-Benzyl-8',12'-Dihydroxy-2'-Methyl-3',6',18-Trioxo-9,10-Dihydroergotaman

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Formula C33H37N5O6
IUPAC Name (5'alpha,8xi,10alpha)-5'-benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
Molecular Mass 599.677 g·mol−1
Heat of Formation -832.9 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 697.22 Å 3
Surface Area 535.01 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
InChIKey AHRNWGXNCFKOII-ZRWQJYFDSA-N
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