Geometry & MOs
Info
ID: |
323058 |
PubChem CID: |
126671941 |
Reduced: |
NSF3C7H8 (1) |
Stoich.: |
ABC3D7E8 (1) |
Weight, g/mol: |
1038.4375 |
ΔHf, kcal/mol: |
-140.33 |
Dipole, Da: |
4.95 |
IP(EA), eV: |
-10.16(-1.05) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[4-[3-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-1-hydroxyethyl]amino]cyclobutyl]oxypiperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide