(6R,11As,19As)-6-Benzyldodecahydro-5H,11H-Dipyrrolo[2,1-C:2',1'-I][1,4,7,10,13]Thiatetraazacyclopentadecine-5,8,16,19(9H)-Tetrone

Molecule SVG Image

Properties Simple | Detailed

Formula C23H30N4O4S
IUPAC Name (6r,11as,19as)-6-benzyldodecahydro-5h,11h-dipyrrolo[2,1-c:2',1'-i][1,4,7,10,13]thiatetraazacyclopentadecine-5,8,16,19(9h)-tetrone
Molecular Mass 458.574 g·mol−1
Heat of Formation -646.6 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 544.81 Å 3
Surface Area 417.97 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
InChIKey RNWWSUSCMPZMOH-CEXWTWQISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N