Geometry & MOs
Info
ID: |
314053 |
PubChem CID: |
126620153 |
Reduced: |
N2O3C14H20 (1) |
Stoich.: |
A2B3C14D20 (1) |
Weight, g/mol: |
987.313857 |
ΔHf, kcal/mol: |
-118.73 |
Dipole, Da: |
4.56 |
IP(EA), eV: |
-9.75(-0.23) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2R)-2-[3-[5-[[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]acetyl]amino]-3,3-difluoropentoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide