4-Bromo-N-[(E)-({2-[({2-[(Diaminomethylene)Amino]-1,3-Thiazol-4-Yl}Methyl)Sulfinyl]Ethyl}Imino)Methyl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C14H17BrN6O3S3
IUPAC Name n-(4-bromophenyl)sulfonyl-n'-[2-[(s)-(2-guanidinothiazol-4-yl)methylsulfinyl]ethyl]formamidine
Molecular Mass 493.422 g·mol−1
Heat of Formation -121.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 476.07 Å 3
Surface Area 366.45 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey HOBKUPLYEIQOED-SANMLTNESA-N
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Elements C H O N S Br