Geometry & MOs
Info
ID: |
318477 |
PubChem CID: |
126651475 |
Reduced: |
CO2H3S4 (1) |
Stoich.: |
AB2C3D4 (1) |
Weight, g/mol: |
546.214821 |
ΔHf, kcal/mol: |
-60.82 |
Dipole, Da: |
4.52 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 3.696192 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2R)-4-[6-[4-[1-(2-hydroxyethyl)azetidin-3-yl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide