N-{4-[(2-Amino-6-Ethyl-4-Oxo-1,4-Dihydrothieno[2,3-D]Pyrimidin-5-Yl)Sulfanyl]Benzoyl}-L-Glutamic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H20N4O6S2+
IUPAC Name (2s)-2-[[4-(2-amino-6-ethyl-4-oxo-thieno[2,3-d]pyrimidine-3,7-diium-5-yl)sulfanylbenzoyl]amino]pentanedioic acid
Molecular Mass 476.526 g·mol−1
Heat of Formation -912.0 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 522.27 Å 3
Surface Area 445.61 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey RSFXTHIRRXEJJD-NSHDSACASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N