Geometry & MOs
Info
ID: |
233500 |
PubChem CID: |
90944894 |
Reduced: |
PSO5C6H13 (1) |
Stoich.: |
ABC5D6E13 (1) |
Weight, g/mol: |
994.408118 |
ΔHf, kcal/mol: |
-315.51 |
Dipole, Da: |
5.13 |
IP(EA), eV: |
-9.76(-0.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,4R,14S,18R)-14-[[1-cyclohexylidene-2-(1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazin-2-yl)ethyl]carbamoylamino]-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid