Geometry & MOs
Info
ID: |
80677 |
PubChem CID: |
49835860 |
Reduced: |
O3N4H9C14 (1) |
Stoich.: |
A3B4C9D14 (1) |
Weight, g/mol: |
567.215155 |
ΔHf, kcal/mol: |
113.22 |
Dipole, Da: |
4.23 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.426564 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide