Geometry & MOs
Info
ID: |
419919 |
PubChem CID: |
135109758 |
Reduced: |
FNO3C14H18 (1) |
Stoich.: |
ABC3D14E18 (1) |
Weight, g/mol: |
612.374767 |
ΔHf, kcal/mol: |
-171.45 |
Dipole, Da: |
3.36 |
IP(EA), eV: |
-9.18(-0.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3R,6S,9S,15S)-13-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone