Geometry & MOs
Info
ID: |
417578 |
PubChem CID: |
135102097 |
Reduced: |
NOC8H12 (2) |
Stoich.: |
ABC8D12 (2) |
Weight, g/mol: |
811.438095 |
ΔHf, kcal/mol: |
-88.31 |
Dipole, Da: |
5.63 |
IP(EA), eV: |
-9.53(-0.24) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3R,6S,9S,12R,18S)-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-16-[2-(3-methylpyrazol-1-yl)acetyl]-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone