N-[(1-{[2-(Diethylamino)Ethyl]Amino}-7-Methoxy-9-Oxo-9H-Thioxanthen-4-Yl)Methyl]Formamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H27N3O3S
IUPAC Name n-[[1-[2-(diethylamino)ethylamino]-7-methoxy-9-oxo-thioxanthen-4-yl]methyl]formamide
Molecular Mass 413.533 g·mol−1
Heat of Formation -322.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 490.24 Å 3
Surface Area 430.07 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-4-thioxanthenyl]methyl]formamide
  • n-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-thioxanthen-4-yl]methyl]formamide
  • n-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-thioxanthen-4-yl]methyl]methanamide
  • n-[[1-(2-diethylaminoethylamino)-7-methoxy-9-oxothioxanthen-4-yl]methyl]formamide
  • n-[[1-(2-diethylaminoethylamino)-9-keto-7-methoxy-thioxanthen-4-yl]methyl]formamide
InChIKey GWLFIMOOGVXSMZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N