Formula |
C19H15ClFNO2S |
IUPAC Name |
2-[(3s)-4-(4-chlorophenyl)sulfanyl-7-fluoro-2,3-dihydro-1h-pyrrolo[1,2-a]indol-3-yl]acetic acid |
Molecular Mass |
375.844 g·mol−1 |
Heat of Formation |
-355.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.68 ± 1.08 D |
Volume |
420.77 Å 3 |
Surface Area |
351.87 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
-0.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GSBAVONRPNJJOH-NSHDSACASA-N |
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Elements |
C
F
H
Cl
O
N
S
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