Formula |
C23H19N5O3 |
IUPAC Name |
4-[4-(4-aminophenyl)buta-1,3-diynyl]-n-[(1s)-2-(hydroxyamino)-1-(1h-imidazol-5-ylmethyl)-2-oxo-ethyl]benzamide |
Molecular Mass |
413.429 g·mol−1 |
Heat of Formation |
378.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.11 ± 1.08 D |
Volume |
491.07 Å 3 |
Surface Area |
448.21 Å 2 |
HOMO Energy |
-8.43 ± 0.55 eV |
LUMO Energy |
-1.16 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AEXNUUIGAXOZGM-NRFANRHFSA-N |
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Elements |
H
C
O
N
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