(6Ar,10Ar)-7-Methyl-9-[(Methylsulfanyl)Methyl]-4,6A,7,8,9,10A-Hexahydro-6H-Indolo[3,4-Gh][1,4]Benzoxazine

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Properties Simple | Detailed

Formula C16H20N2OS
IUPAC Name voxergolide
Molecular Mass 288.408 g·mol−1
Heat of Formation 36.0 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 346.95 Å 3
Surface Area 304.99 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey GYUHVILBXXBZDS-PEYYIBSZSA-N
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