Geometry & MOs
Info
ID: |
42049 |
PubChem CID: |
8148227 |
Reduced: |
O2S2N3C20H20 (1) |
Stoich.: |
A2B2C3D20E20 (1) |
Weight, g/mol: |
397.091869 |
ΔHf, kcal/mol: |
25.13 |
Dipole, Da: |
9.01 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.890365 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(1S)-1-(2-phenoxyethylamino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one