[3-(3-Oxo-3-{[3-(Sulfoamino)Benzyl]Amino}Propyl)Phenyl]Sulfamic Acid

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Properties Simple | Detailed

Formula C16H19N3O7S2
IUPAC Name [3-[3-oxo-3-[[3-(sulfoamino)phenyl]methylamino]propyl]phenyl]sulfamic acid
Molecular Mass 429.468 g·mol−1
Heat of Formation -1096.8 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 455.58 Å 3
Surface Area 418.27 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid
  • [3-[3-keto-3-[[3-(sulfoamino)benzyl]amino]propyl]phenyl]sulfamic acid
InChIKey UWGCDTODPMLETQ-UHFFFAOYSA-N
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