Geometry & MOs
Info
ID: |
178130 |
PubChem CID: |
76282192 |
Reduced: |
NC5H6 (4) |
Stoich.: |
AB5C6 (4) |
Weight, g/mol: |
904.463582 |
ΔHf, kcal/mol: |
73.58 |
Dipole, Da: |
4.11 |
IP(EA), eV: |
-8.33(-0.1) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[1-[2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]naphthalen-1-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate