({[(2R)-2-{[(4-Ethyl-2,3-Dioxo-3,4-Dihydro-1(2H)-Pyrazinyl)Carbonyl]Amino}-2-(4-Hydroxyphenyl)Acetyl]Amino}Methyl)Boronic Acid

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Properties Simple | Detailed

Formula C16H19BN4O7++
IUPAC Name [[(2r)-2-[(4-ethyl-2,3-dioxo-pyrazine-1,4-diium-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]methylboronic acid
Molecular Mass 390.156 g·mol−1
Heat of Formation -1312.1 ± 16.7 kJ·mol−1
Dipole Moment 10.68 ± 1.08 D
Volume 445.28 Å 3
Surface Area 385.28 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey VFZCHJQIIUDDPB-GFCCVEGCSA-N
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