Geometry & MOs
Info
ID: |
416613 |
PubChem CID: |
135089827 |
Reduced: |
NO3C18H25 (1) |
Stoich.: |
AB3C18D25 (1) |
Weight, g/mol: |
831.383473 |
ΔHf, kcal/mol: |
-116.05 |
Dipole, Da: |
4.5 |
IP(EA), eV: |
-9.04(0.12) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3R,6S,9S,12R,18S)-16-(4-chloro-2-methylpyrazole-3-carbonyl)-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone