Geometry & MOs
Info
ID: |
443157 |
PubChem CID: |
135257908 |
Reduced: |
O2N4C11H19 (2) |
Stoich.: |
A2B4C11D19 (2) |
Weight, g/mol: |
950.564299 |
ΔHf, kcal/mol: |
-101.34 |
Dipole, Da: |
3.84 |
IP(EA), eV: |
-8.91(-0.66) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl 4-[4-[[7-[3-[2-[(7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate