Formula |
C23H25N5O4 |
IUPAC Name |
[(1s)-1-(cyanomethyl)propyl] n-[(1s)-1-[3-[(4-cyano-3-methoxy-phenyl)carbamoylamino]phenyl]ethyl]carbamate |
Molecular Mass |
435.476 g·mol−1 |
Heat of Formation |
-354.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.45 ± 1.08 D |
Volume |
528.19 Å 3 |
Surface Area |
474.37 Å 2 |
HOMO Energy |
-9.26 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PJFQWSNOXLEDDZ-YWZLYKJASA-N |
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Elements |
H
C
O
N
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