Geometry & MOs
Info
ID: |
298742 |
PubChem CID: |
117655338 |
Reduced: |
NOC16H34 (1) |
Stoich.: |
ABC16D34 (1) |
Weight, g/mol: |
446.147786 |
ΔHf, kcal/mol: |
-71.26 |
Dipole, Da: |
1.48 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751323 |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[2-[[(2R,5S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-(2-oxoethyl)-2H-furan-5-yl]methyl]phenyl]benzoic acid