3-Chloro-N-[(1S)-1-[[[2-(Dimethylamino)Acetyl]Amino]Methyl]-2-[4-[8-[(1S)-1-Hydroxyethyl]-3,5,6,7-Tetrahydroimidazo[1,2-A]Pyridin-1-Ium-3,5,6,7,8-Pentaid-2-Yl]Phenyl]Ethyl]-4-Isopropoxy-Benzamide

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Properties Simple | Detailed

Formula C32H43ClN5O4
IUPAC Name 3-chloro-n-[(1s)-1-[[[2-(dimethylamino)acetyl]amino]methyl]-2-[4-[8-[(1s)-1-hydroxyethyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-1-ium-3,5,6,7,8-pentaid-2-yl]phenyl]ethyl]-4-isopropoxy-benzamide
Molecular Mass 597.168 g·mol−1
Heat of Formation -528.5 ± 16.7 kJ·mol−1
Dipole Moment 9.91 ± 1.08 D
Volume 720.93 Å 3
Surface Area 472.23 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey KKSHVDRNXNUCSW-OFVILXPXSA-O
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Elements H C N O Cl