Geometry & MOs
Info
ID: |
418989 |
PubChem CID: |
135107270 |
Reduced: |
NO2C8H12 (2) |
Stoich.: |
AB2C8D12 (2) |
Weight, g/mol: |
842.414917 |
ΔHf, kcal/mol: |
-183.38 |
Dipole, Da: |
3.93 |
IP(EA), eV: |
-9.06(0.58) |
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)-18-propan-2-yl-16-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone