Geometry & MOs
Info
ID: |
298590 |
PubChem CID: |
117651526 |
Reduced: |
ClSN2F3O5H14C17 (1) |
Stoich.: |
ABC2D3E5F14G17 (1) |
Weight, g/mol: |
1331.566325 |
ΔHf, kcal/mol: |
-284.03 |
Dipole, Da: |
3.1 |
IP(EA), eV: |
-9.64(-1.4) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-3-[[4-[2-amino-6-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3,5-dicyanopyridin-4-yl]phenoxy]methyl]-2-[[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]methyl]-4-[3-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyloxy]butanoic acid