5-{[(5-Chloro-2-Methyl-3-Pyridinyl)Amino]Methyl}-N-[(2S)-3-Cyclopentyl-1-(Cyclopropylamino)-1-Oxo-2-Propanyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C23H29ClN4O2S
IUPAC Name 5-[[(5-chloro-2-methyl-3-pyridyl)amino]methyl]-n-[(1s)-1-(cyclopentylmethyl)-2-(cyclopropylamino)-2-oxo-ethyl]thiophene-2-carboxamide
Molecular Mass 461.020 g·mol−1
Heat of Formation -165.3 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 551.98 Å 3
Surface Area 490.47 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
InChIKey IVDUVEGCMXCMSO-FQEVSTJZSA-N
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Elements C Cl H O N S