Geometry & MOs
Info
ID: |
415692 |
PubChem CID: |
135088691 |
Reduced: |
ClN3O3C14H20 (1) |
Stoich.: |
AB3C3D14E20 (1) |
Weight, g/mol: |
684.363533 |
ΔHf, kcal/mol: |
-105.94 |
Dipole, Da: |
8.31 |
IP(EA), eV: |
-9.15(-0.94) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(7S,10R)-4-[(2S)-butan-2-yl]-7-[(4-methoxyphenyl)methyl]-10-methyl-17-(2-pyridin-4-ylacetyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone