Geometry & MOs
Info
ID: |
186146 |
PubChem CID: |
77396301 |
Reduced: |
N3O3C12H25 (1) |
Stoich.: |
A3B3C12D25 (1) |
Weight, g/mol: |
804.341752 |
ΔHf, kcal/mol: |
-144.8 |
Dipole, Da: |
4.33 |
IP(EA), eV: |
-8.51(1.05) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[1-[2-[5-[6-[3-[1-(2-amino-2-cyclohexa-1,5-dien-1-ylacetyl)pyrrolidin-2-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate