(E)-N-{2-[({5-[(Dimethylamino)Methyl]-2-Furyl}Methyl)Sulfinyl]Ethyl}-N'-Methyl-2-Nitro-1,1-Ethenediamine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H22N4O4S
IUPAC Name (e)-n1'-[2-[(s)-[5-[(dimethylamino)methyl]-2-furyl]methylsulfinyl]ethyl]-n1-methyl-2-nitro-ethene-1,1-diamine
Molecular Mass 330.403 g·mol−1
Heat of Formation -179.3 ± 16.7 kJ·mol−1
Dipole Moment 11.13 ± 1.08 D
Volume 396.71 Å 3
Surface Area 362.78 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry C1
InChIKey SKHXRNHSZTXSLP-XAYKGCCJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N