N-[(1-Carbamimidamido-4-Chloro-7-Isoquinolinyl)Sulfonyl]-2-Methylalanine

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Properties Simple | Detailed

Formula C14H17ClN5O4S
IUPAC Name 2-[(4-chloro-1-guanidino-isoquinolin-2-ium-4-id-7-yl)sulfonylamino]-2-methyl-propanoic acid
Molecular Mass 386.834 g·mol−1
Heat of Formation -568.4 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 403.55 Å 3
Surface Area 345.26 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey XSDAXWRCPTYNOD-UHFFFAOYSA-N
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Elements C Cl H O N S