N,N'-{[3-(2-Amino-1H-Imidazol-5-Yl)-4-(2-Amino-5-Oxo-4,5-Dihydro-1H-Imidazol-4-Yl)-1,2-Cyclobutanediyl]Bis(Methylene)}Bis(4-Bromo-1H-Pyrrole-2-Carboxamide)
Properties
Property | Value |
---|---|
Formula | C22H25Br2N10O3+ |
IUPAC Name | [4-[2-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-3,4-bis[[(4-bromo-1h-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]-1,3-dihydroimidazol-2-ylidene]ammonium |
Molecular Mass | 637.307 g·mol−1 |
Heat of Formation | -12.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.76 ± 1.08 D |
Volume | 617.79 Å 3 |
Surface Area | 498.44 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | -0.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | BCDVBQKLSBGFBQ-QJHMNFFWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |