Geometry & MOs
Info
ID: |
58967 |
PubChem CID: |
24769899 |
Reduced: |
NO5C22H29 (1) |
Stoich.: |
AB5C22D29 (1) |
Weight, g/mol: |
435.225702 |
ΔHf, kcal/mol: |
-93.01 |
Dipole, Da: |
4.65 |
IP(EA), eV: |
-8.97(-0.88) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S,5S)-5-[(3S,8S,9R,9aS)-8-hydroxy-9-[(2S)-1-(5-hydroxy-3-methoxy-4-methylfuran-2-yl)-1-oxopropan-2-yl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepin-3-yl]-3-methyloxolan-2-one