Geometry & MOs
Info
ID: |
329394 |
PubChem CID: |
126736040 |
Reduced: |
PC21H30 (1) |
Stoich.: |
AB21C30 (1) |
Weight, g/mol: |
528.122157 |
ΔHf, kcal/mol: |
36.83 |
Dipole, Da: |
7.65 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.935049 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[1-[(4aR,7aR)-7,7-difluoro-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-oxopyrimidin-4-yl]-2-methyl-2,3-dihydro-1,3-benzoxazole-5-carboxamide