Geometry & MOs
Info
ID: |
42906 |
PubChem CID: |
8150169 |
Reduced: |
SO2N3C19H22 (1) |
Stoich.: |
AB2C3D19E22 (1) |
Weight, g/mol: |
397.182398 |
ΔHf, kcal/mol: |
-5.38 |
Dipole, Da: |
6.93 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.842242 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(7R)-7-methyl-2-[(1R)-1-[methyl(2-phenoxyethyl)amino]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one