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 C21H21N5O4S2
IUPAC Name n-[(3s)-1-[[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]-2-oxo-pyrrolidin-3-yl]-5-(3-pyridyl)thiophene-2-sulfonamide
Molecular Mass 471.553 g·mol−1
Heat of Formation -256.9 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 517.28 Å 3
Surface Area 435.25 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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