Geometry & MOs
Info
ID: |
425836 |
PubChem CID: |
135128233 |
Reduced: |
SO4N5C18H21 (1) |
Stoich.: |
AB4C5D18E21 (1) |
Weight, g/mol: |
1460.458097 |
ΔHf, kcal/mol: |
-97.77 |
Dipole, Da: |
2.07 |
IP(EA), eV: |
-8.59(-0.95) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[[6-[4-[[5-[[6-[5-[[hydroxy-[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-1,2-thiazol-3-yl]methyl]amino]pyridin-2-yl]-4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-1,2-thiazole-3-carbonyl]amino]phenyl]-4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3-carboxamide