Geometry & MOs
Info
ID: |
433883 |
PubChem CID: |
135174026 |
Reduced: |
PO4N5C15H19 (1) |
Stoich.: |
AB4C5D15E19 (1) |
Weight, g/mol: |
643.327088 |
ΔHf, kcal/mol: |
-109.33 |
Dipole, Da: |
2.77 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.773724 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[2-[2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]prop-2-enylamino]propanal