Geometry & MOs
Info
ID: |
188847 |
PubChem CID: |
77774056 |
Reduced: |
NNaSC5H9 (1) |
Stoich.: |
ABCD5E9 (1) |
Weight, g/mol: |
783.288019 |
ΔHf, kcal/mol: |
0.79 |
Dipole, Da: |
11.88 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.764411 |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-N-(4-chlorophenyl)sulfonyl-1-N-[1-[[2-[cyclopentyl-[5,5-difluoro-4-hydroxy-2-methyl-6-oxo-6-(propylamino)hexan-3-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide