4-Bromo-N-(2-{[(2-Carbamimidamido-1,3-Thiazol-4-Yl)Methyl]Sulfinyl}Ethyl)-N-(Iminomethyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C14H17BrN6O3S3
IUPAC Name n-(4-bromophenyl)sulfonyl-n-[2-[(r)-(2-guanidinothiazol-4-yl)methylsulfinyl]ethyl]formamidine
Molecular Mass 493.422 g·mol−1
Heat of Formation -125.6 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 482.65 Å 3
Surface Area 347.78 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey FWKLETQFLWHEEM-GSJDOASHSA-N
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Elements C H O N S Br