Geometry & MOs
Info
ID: |
322807 |
PubChem CID: |
126671211 |
Reduced: |
NC26H31 (1) |
Stoich.: |
AB26C31 (1) |
Weight, g/mol: |
910.371528 |
ΔHf, kcal/mol: |
111.87 |
Dipole, Da: |
0.49 |
IP(EA), eV: |
-7.98(0.08) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[2-[[2-[3-[[2-[7-(4-chlorophenyl)-4,5,13-trimethyl-1,3,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide