Geometry & MOs
Info
ID: |
424884 |
PubChem CID: |
135124314 |
Reduced: |
ClON2C11H17 (1) |
Stoich.: |
ABC2D11E17 (1) |
Weight, g/mol: |
709.265808 |
ΔHf, kcal/mol: |
-59.23 |
Dipole, Da: |
1.05 |
IP(EA), eV: |
-9.22(-0.24) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[3-[(4-ethyl-1,1-dihydroxy-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-[6-(trifluoromethyl)pyridin-3-yl]propanamide