Geometry & MOs
Info
ID: |
84134 |
PubChem CID: |
49864477 |
Reduced: |
N3O4C10H19 (1) |
Stoich.: |
A3B4C10D19 (1) |
Weight, g/mol: |
1617.694016 |
ΔHf, kcal/mol: |
-202.56 |
Dipole, Da: |
4.61 |
IP(EA), eV: |
-10.07(0.13) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
[6-anilino-9-[2-[4-[[2-[(3R)-7-[6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexanoylamino]-2-oxo-3-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptoxy]-2-oxoethyl]carbamoyl]piperidin-1-yl]sulfonylphenyl]xanthen-3-ylidene]-methyl-phenylazanium