(Z)-N1'-(1,3-Benzodioxol-5-Ylmethyl)-N1-[2-[[5-[(Dimethylamino)Methyl]-2-Furyl]Methylsulfanyl]Ethyl]-2-Nitro-Ethene-1,1-Diamine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26N4O5S
IUPAC Name (z)-n1'-(1,3-benzodioxol-5-ylmethyl)-n1-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine
Molecular Mass 434.509 g·mol−1
Heat of Formation -290.7 ± 16.7 kJ·mol−1
Dipole Moment 13.08 ± 1.08 D
Volume 509.27 Å 3
Surface Area 375.46 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey FJYMNRAGNOZAHT-UDWIEESQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N