1-({6-[(4-Azido-2-Nitrophenyl)Amino]Hexanoyl}Oxy)-2,5-Dioxo-3-Pyrrolidinesulfonic Acid

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Properties Simple | Detailed

Formula C16H13N6O9S
IUPAC Name imino-[4-[(6-isocyanatooxy-6-oxo-hexa-1,4-diynyl)amino]-3-nitro-phenyl]imino-ammonium; 3-sulfonatoprop-1-yn-1-ol
Molecular Mass 465.374 g·mol−1
Heat of Formation 1414.2 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 446.19 Å 3
Surface Area 429.57 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey UPNUQQDXHCUWSG-ZDUSSCGKSA-N
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