Geometry & MOs
Info
ID: |
188315 |
PubChem CID: |
77698725 |
Reduced: |
OF2N2C16H28 (1) |
Stoich.: |
AB2C2D16E28 (1) |
Weight, g/mol: |
878.426151 |
ΔHf, kcal/mol: |
-168.02 |
Dipole, Da: |
1.86 |
IP(EA), eV: |
-8.82(0.63) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-[2-[6-[5-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid