Geometry & MOs
Info
ID: |
62769 |
PubChem CID: |
26736682 |
Reduced: |
OS2N3C21H24 (1) |
Stoich.: |
AB2C3D21E24 (1) |
Weight, g/mol: |
496.196669 |
ΔHf, kcal/mol: |
52.28 |
Dipole, Da: |
17.91 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.061898 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-(1-benzylpiperidin-4-yl)-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide