Geometry & MOs
Info
ID: |
84543 |
PubChem CID: |
49867548 |
Reduced: |
NC3O3H8 (1) |
Stoich.: |
AB3C3D8 (1) |
Weight, g/mol: |
269.103 |
ΔHf, kcal/mol: |
-107.28 |
Dipole, Da: |
1.07 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.767219 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[(1S,2S,4S)-4-chloro-2-[(R)-hydroxy(methoxy)methyl]cyclohexyl]amino]ethane-1,1,2-triol