Geometry & MOs
Info
ID: |
166892 |
PubChem CID: |
74750973 |
Reduced: |
ON3C20H22 (1) |
Stoich.: |
AB3C20D22 (1) |
Weight, g/mol: |
360.12043 |
ΔHf, kcal/mol: |
43.24 |
Dipole, Da: |
4.53 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.116310 |
Charge, e: |
1 |
Chem-info
IUPAC name:
ethyl-[(4-oxo-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]-(thiophen-2-ylmethyl)azanium