Formula |
C21H22N4O5 |
IUPAC Name |
(z,3s)-3-[[(2s)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-1-diazonio-but-1-en-2-olate |
Molecular Mass |
410.423 g·mol−1 |
Heat of Formation |
-511.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.56 ± 1.08 D |
Volume |
491.02 Å 3 |
Surface Area |
411.87 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
-0.93 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AUCPIJGDYBXJGH-FJLNVPPCSA-N |
QR Code |
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Elements |
H
C
O
N
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