Geometry & MOs
Info
ID: |
176557 |
PubChem CID: |
76066032 |
Reduced: |
BrClNO3C15H19 (1) |
Stoich.: |
ABCD3E15F19 (1) |
Weight, g/mol: |
1961.862799 |
ΔHf, kcal/mol: |
-143.71 |
Dipole, Da: |
2.78 |
IP(EA), eV: |
-9.56(-0.9) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-amino-N-[1-(2-amino-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-6-benzyl-5-oxo-2,3,7,8-tetrahydro-1H-azaborolo[1,2-a]azaborinine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-2-(2-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)propan-1-ol;6-benzyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,7,8-tetrahydro-1H-azaborolo[1,2-a]azaborinine-3-carboxylic acid;tert-butyl N-[3-[[2-(1,3-benzothiazol-2-yl)-2-hydroxy-1-(2-methyl-1,6-dihydrocyclopenta[d]imidazol-5-yl)ethyl]carbamoyl]-6-benzyl-5-oxo-2,3,7,8-tetrahydro-1H-azaborolo[1,2-a]azaborinin-6-yl]carbamate