Formula |
C20H24ClN3O4S |
IUPAC Name |
ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]amino]methyl]pyrrolidine-1-carboxylate |
Molecular Mass |
437.940 g·mol−1 |
Heat of Formation |
3560.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.33 ± 1.08 D |
Volume |
472.21 Å 3 |
Surface Area |
433.31 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
-2.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MMJJNHOIVCGAAP-INIZCTEOSA-N |
QR Code |
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Elements |
C
N
S
O
Cl
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