Geometry & MOs
Info
ID: |
448513 |
PubChem CID: |
135291453 |
Reduced: |
PN2O8C9H19 (1) |
Stoich.: |
AB2C8D9E19 (1) |
Weight, g/mol: |
1110.550266 |
ΔHf, kcal/mol: |
-418.35 |
Dipole, Da: |
7.19 |
IP(EA), eV: |
-9.02(0.22) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl N-[(1S)-2-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[2-[(2S)-1-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate