Geometry & MOs
Info
ID: |
232934 |
PubChem CID: |
87577740 |
Reduced: |
ON4C12H13 (1) |
Stoich.: |
AB4C12D13 (1) |
Weight, g/mol: |
929.445228 |
ΔHf, kcal/mol: |
58.57 |
Dipole, Da: |
9.11 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.093980 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S)-1-[[(2R,4S,5S)-5-[[(2S)-3,3-dimethyl-2-[2-oxo-3-[[6-(2-phosphonooxypropan-2-yl)pyridin-2-yl]methyl]imidazolidin-1-yl]butanoyl]amino]-4-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid