(1Z,3S)-3-({N-[(Benzyloxy)Carbonyl]-L-Phenylalanyl}Amino)-1-Diazonio-1-Buten-2-Olate

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Properties Simple | Detailed

Formula C21H22N4O4
IUPAC Name (z,3s)-3-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-but-1-en-2-olate
Molecular Mass 394.424 g·mol−1
Heat of Formation -319.0 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 481.67 Å 3
Surface Area 406.85 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey MWTMWVGTMFXOSZ-BBMJWPBGSA-N
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