Geometry & MOs
Info
ID: |
46898 |
PubChem CID: |
10528232 |
Reduced: |
N2O3C22H27 (1) |
Stoich.: |
A2B3C22D27 (1) |
Weight, g/mol: |
467.209007 |
ΔHf, kcal/mol: |
-69.21 |
Dipole, Da: |
3.0 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.929537 |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (3S,6R,8aR)-1'-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-5-oxospiro[3,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,2'-pyrrolidine]-3-carboxylate