Formula |
C27H28N2O3S |
IUPAC Name |
[2-(4-methoxyphenyl)phenyl]-[5-methyl-6-(2-morpholinoethyl)thieno[2,3-b]pyrrol-4-yl]methanone |
Molecular Mass |
460.588 g·mol−1 |
Heat of Formation |
-118.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.83 ± 1.08 D |
Volume |
556.61 Å 3 |
Surface Area |
403.64 Å 2 |
HOMO Energy |
-8.27 ± 0.55 eV |
LUMO Energy |
-0.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MAUXBXSYWGKIFV-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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