Geometry & MOs
Info
ID: |
89904 |
PubChem CID: |
49965308 |
Reduced: |
N2O2S2H12C19 (1) |
Stoich.: |
A2B2C2D12E19 (1) |
Weight, g/mol: |
439.131425 |
ΔHf, kcal/mol: |
33.81 |
Dipole, Da: |
2.61 |
IP(EA), eV: |
-8.97(-1.64) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
12-amino-10-(3-methoxy-4-propoxyphenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile