N-[(3S)-1-{[3-(Diaminomethylene)-6-Oxo-1,4-Cyclohexadien-1-Yl]Methyl}-2-Oxo-3-Pyrrolidinyl]-5-(3-Pyridinyl)-2-Thiophenesulfonamide

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Properties Simple | Detailed

Formula C21H23N5O4S2
IUPAC Name [amino-[4-oxo-3-[[(3s)-2-oxo-3-[[5-(3h-pyridin-1-ium-3-id-5-yl)-2-thienyl]sulfonylamino]pyrrolidin-1-yl]methyl]cyclohexa-2,5-dien-1-yl]methylene]ammonium
Molecular Mass 473.568 g·mol−1
Heat of Formation -256.9 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 517.25 Å 3
Surface Area 435.2 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey KDLKSVHRMJHJGV-INIZCTEOSA-N
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