(3S,6S)-6-(4-Aminobutyl)-3-Isopropyl-13-(10-Methylundecyl)-1,4,7,10-Tetraazacyclotridecane-2,5,8,11-Tetrone

Molecule SVG Image

Properties Simple | Detailed

Formula C28H53N5O4
IUPAC Name (3s,6s,13r)-6-(4-aminobutyl)-3-(1-methylethyl)-13-(10-methylundecyl)-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
Molecular Mass 523.752 g·mol−1
Heat of Formation -1092.8 ± 16.7 kJ·mol−1
Dipole Moment 11.84 ± 1.08 D
Volume 720.97 Å 3
Surface Area 594.39 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
InChIKey CQVSTNLAGJAEKO-FXSPECFOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N