Geometry & MOs
Info
ID: |
144123 |
PubChem CID: |
53316755 |
Reduced: |
ClNO4H24C26 (1) |
Stoich.: |
ABC4D24E26 (1) |
Weight, g/mol: |
982.608968 |
ΔHf, kcal/mol: |
-75.14 |
Dipole, Da: |
4.37 |
IP(EA), eV: |
-8.2(-0.38) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]urea