4-({[6-(Benzylamino)-5-Nitro-4-Pyrimidinyl]Amino}Methyl)Benzenesulfonamide
Properties
Property | Value |
---|---|
Formula | C18H18N6O4S |
IUPAC Name | 4-[[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide |
Molecular Mass | 414.438 g·mol−1 |
Heat of Formation | 14.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.49 ± 1.08 D |
Volume | 457.17 Å 3 |
Surface Area | 418.12 Å 2 |
HOMO Energy | -9.59 ± 0.55 eV |
LUMO Energy | -0.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | NWXVSHBDWSMVNZ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |