Geometry & MOs
Info
ID: |
323064 |
PubChem CID: |
126672002 |
Reduced: |
NO3C14H17 (1) |
Stoich.: |
AB3C14D17 (1) |
Weight, g/mol: |
987.336072 |
ΔHf, kcal/mol: |
-77.53 |
Dipole, Da: |
4.48 |
IP(EA), eV: |
-8.81(-1.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-1-[(2S)-2-[[2-[3-[2-[[2-[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]ethylsulfanyl]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide