Geometry & MOs
Info
ID: |
314056 |
PubChem CID: |
126620158 |
Reduced: |
NSF2O4C12H15 (1) |
Stoich.: |
ABC2D4E12F15 (1) |
Weight, g/mol: |
1065.484784 |
ΔHf, kcal/mol: |
-207.95 |
Dipole, Da: |
7.24 |
IP(EA), eV: |
-9.49(-0.83) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[2-[(2R)-4-[1-[2-[(9S)-7-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]-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]piperidin-4-yl]-2-methylpiperazin-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