3-Ethyl 5-Methyl 2-{[(2-Aminoethyl)Sulfanyl]Methyl}-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Formula C20H25N3O6S
IUPAC Name o3-ethyl o5-methyl (4s)-2-(2-aminoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 435.494 g·mol−1
Heat of Formation -655.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 497.6 Å 3
Surface Area 382.19 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
InChIKey NCPRZAIJPGXTLB-KRWDZBQOSA-N
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