Formula |
C30H35F2N5O5 |
IUPAC Name |
methyl 1-[3-[[(4s)-5-carbamoyl-4-(3,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3-carbonyl]amino]propyl]-4-phenyl-piperidine-4-carboxylate |
Molecular Mass |
583.626 g·mol−1 |
Heat of Formation |
-1124.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.58 ± 1.08 D |
Volume |
695.53 Å 3 |
Surface Area |
516.06 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
-0.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YCUQRVLXIFFFNB-VWLOTQADSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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