Geometry & MOs
Info
ID: |
173638 |
PubChem CID: |
75664084 |
Reduced: |
S2N3O3C16H16 (1) |
Stoich.: |
A2B3C3D16E16 (1) |
Weight, g/mol: |
388.182064 |
ΔHf, kcal/mol: |
-33.11 |
Dipole, Da: |
2.66 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.798782 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-(3,3-dimethyl-2-oxobutyl)-5-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylidene]-1,3-thiazol-4-one