Geometry & MOs
Info
ID: |
403427 |
PubChem CID: |
135060211 |
Reduced: |
NOSeC7H14 (1) |
Stoich.: |
ABCD7E14 (1) |
Weight, g/mol: |
245.162708 |
ΔHf, kcal/mol: |
-14.93 |
Dipole, Da: |
2.84 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.871322 |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl N-[(2S,3S,4S)-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate