Siponimod

Molecule SVG Image

Properties Simple | Detailed

Formula C29H35F3N2O3
IUPAC Name 1-[[4-[(e)-n-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-c-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid
Molecular Mass 516.595 g·mol−1
Heat of Formation -941.8 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 620.44 Å 3
Surface Area 525.58 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey KIHYPELVXPAIDH-HNSNBQBZSA-N
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