(1R,2R,4R)-1-(4-Tert-Butylphenyl)Sulfonyl-2-Methyl-4-(4-Nitrophenyl)Piperazine

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Properties Simple | Detailed

Formula C21H27N3O4S
IUPAC Name (1r,2r,4r)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(4-nitrophenyl)piperazine
Molecular Mass 417.522 g·mol−1
Heat of Formation -267.9 ± 16.7 kJ·mol−1
Dipole Moment 9.77 ± 1.08 D
Volume 492.87 Å 3
Surface Area 405.38 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey UGQMTDLMCFRAQT-MRXNPFEDSA-N
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