Geometry & MOs
Info
ID: |
163485 |
PubChem CID: |
58003723 |
Reduced: |
OYC5H10 (1) |
Stoich.: |
ABC5D10 (1) |
Weight, g/mol: |
653.302239 |
ΔHf, kcal/mol: |
27.7 |
Dipole, Da: |
2.25 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.323756 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-O-[(2S,4S)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] 4-O-(4-carbamothioylphenyl) butanedioate