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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Elements |
H
S
C
O
N
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