Geometry & MOs
Info
ID: |
160777 |
PubChem CID: |
57389745 |
Reduced: |
NOC5H8 (2) |
Stoich.: |
ABC5D8 (2) |
Weight, g/mol: |
684.308052 |
ΔHf, kcal/mol: |
-73.65 |
Dipole, Da: |
4.62 |
IP(EA), eV: |
-9.97(-0.56) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]but-1-ynyl (4R)-4-[(3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate