Geometry & MOs
Info
ID: |
414962 |
PubChem CID: |
135087942 |
Reduced: |
N2O3C20H26 (1) |
Stoich.: |
A2B3C20D26 (1) |
Weight, g/mol: |
787.426862 |
ΔHf, kcal/mol: |
-78.01 |
Dipole, Da: |
5.93 |
IP(EA), eV: |
-8.86(0.1) |
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-[(2R)-oxolane-2-carbonyl]-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone