4-Sulfamoylphenyl 4-[(Diaminomethylene)Amino]Benzoate

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Properties Simple | Detailed

Formula C14H14N4O4S
IUPAC Name (4-sulfamoylphenyl) 4-guanidinobenzoate
Molecular Mass 334.350 g·mol−1
Heat of Formation -383.0 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 363.98 Å 3
Surface Area 336.3 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate
  • 4-guanidinobenzoic acid (4-sulfamoylphenyl) ester
  • 4-sulfamoylphenyl 4-guanidinobenzoate methanesulfonate
  • benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminosulfonyl)phenyl ester
  • ono 3307
  • ono-3307
CAS Number(s)
  • 76472-28-1
InChIKey YFUQTMNUQVFBBS-UHFFFAOYSA-N
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