Geometry & MOs
Info
ID: |
435819 |
PubChem CID: |
135192501 |
Reduced: |
NC17H25 (1) |
Stoich.: |
AB17C25 (1) |
Weight, g/mol: |
657.219048 |
ΔHf, kcal/mol: |
91.45 |
Dipole, Da: |
2.89 |
IP(EA), eV: |
-8.41(0.05) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(9R,13S)-13-[4-[2-[amino-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]amino]-5-chlorophenyl]-6-oxopyrimidin-1-yl]-3-(2-hydroxyethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one