(20R)-23-Amino-17-Fluoro-12,20-Dimethyl-13-Oxo-21-Oxa-3,9,12,24,26-Pentaazapentacyclo[20.3.1.0~2,10~.0~3,8~.0~14,19~]Hexacosa-1(26),2(10),4,6,8,14,16,18,22,24-Decaene-5-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C23H19FN7O2+
IUPAC Name (20r)-23-amino-17-fluoro-12,20-dimethyl-13-oxo-21-oxa-3,9,12,24,26-pentaazapentacyclo[20.3.1.0 2,10 .0 3,8 .0 14,19 ]hexacosa-1(26),2(10),4,6,8,14,16,18,22,24-decaene-5-carbonitrile
Molecular Mass 444.441 g·mol−1
Heat of Formation 153.2 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 485.01 Å 3
Surface Area 392.42 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
InChIKey MOENETCLMCOREY-GFCCVEGCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N