5-Chloro-N-[(2S)-2-({[2-Chloro-5-Fluoro-3-(2-Oxo-1-Piperidinyl)Phenyl]Sulfonyl}Amino)-3-(4-Methyl-1-Piperazinyl)-3-Oxopropyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C24H28Cl2FN5O5S2
IUPAC Name 5-chloro-n-[(2s)-2-[[2-chloro-5-fluoro-3-(2-oxo-1-piperidyl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxo-propyl]thiophene-2-carboxamide
Molecular Mass 620.544 g·mol−1
Heat of Formation -894.6 ± 16.7 kJ·mol−1
Dipole Moment 8.34 ± 1.08 D
Volume 670.84 Å 3
Surface Area 508.25 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey PVTLJXXAPWJMAT-INIZCTEOSA-N
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Elements C F H Cl O N S