(4-Nitrophenyl)Methyl (4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-Methoxy-7-Oxo-3-Pyrimidin-2-Ylsulfanyl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21N4O7S
IUPAC Name (4-nitrophenyl)methyl (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methoxy-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 473.479 g·mol−1
Heat of Formation -410.8 ± 16.7 kJ·mol−1
Dipole Moment 12.53 ± 1.08 D
Volume 515.73 Å 3
Surface Area 432.31 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey VRPADVFYGMYQDQ-FIUQPQMISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N