3-(3-Chlorophenyl)-2-({(2R)-1-[(6S)-2,8-Diazaspiro[5.5]Undec-2-Yl]-1-Oxo-2-Hexanyl}Sulfanyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C29H35ClN4O2S+
IUPAC Name 3-(3-chlorophenyl)-2-[(2s)-1-[(6s)-2,8-diazaspiro[5.5]undecan-2-yl]-1-oxohexan-2-yl]sulfanylquinazolin-4-one
Molecular Mass 539.132 g·mol−1
Heat of Formation -248.8 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 638.32 Å 3
Surface Area 474.11 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey GMBUMIBZLYNLLU-SVEHJYQDSA-N
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