Geometry & MOs
Info
ID: |
85948 |
PubChem CID: |
49880476 |
Reduced: |
ClO2N5H15C17 (1) |
Stoich.: |
AB2C5D15E17 (1) |
Weight, g/mol: |
565.145361 |
ΔHf, kcal/mol: |
73.24 |
Dipole, Da: |
4.84 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.750088 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-methylpropyl 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate