Geometry & MOs
Info
ID: |
322834 |
PubChem CID: |
126671288 |
Reduced: |
NSO3C13H19 (1) |
Stoich.: |
ABC3D13E19 (1) |
Weight, g/mol: |
996.379316 |
ΔHf, kcal/mol: |
-98.84 |
Dipole, Da: |
3.19 |
IP(EA), eV: |
-8.69(-0.29) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
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]-N-[3-[4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenoxy]cyclobutyl]acetamide