Methyl 2-Amino-4-[2-({4-[4-(2-Methoxyphenyl)-1-Piperazinyl]Butyl}Sulfinyl)Phenyl]-6-Methyl-5-Nitro-1,4-Dihydro-3-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C29H37N5O6S
IUPAC Name methyl (4s)-2-amino-4-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylsulfinyl]phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
Molecular Mass 583.699 g·mol−1
Heat of Formation -396.4 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 679.74 Å 3
Surface Area 540.65 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
InChIKey JQTJGLURUUNKCA-DECSIMMDSA-N
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