N-(2-{[1-(4-Chlorophenyl)-1-Propen-2-Yl](Formyl)Amino}Ethyl)-5-Isoquinolinesulfonamide

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Properties Simple | Detailed

Formula C21H20ClN3O3S
IUPAC Name n-[(e)-2-(4-chlorophenyl)-1-methyl-vinyl]-n-[2-(5-isoquinolylsulfonylamino)ethyl]formamide
Molecular Mass 429.920 g·mol−1
Heat of Formation -221.6 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 482.78 Å 3
Surface Area 346.67 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey UXMQQCQDDWAVEB-DTQAZKPQSA-N
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