Geometry & MOs
Info
ID: |
424967 |
PubChem CID: |
135124623 |
Reduced: |
ClON2C10H21 (1) |
Stoich.: |
ABC2D10E21 (1) |
Weight, g/mol: |
656.27809 |
ΔHf, kcal/mol: |
-103.62 |
Dipole, Da: |
5.85 |
IP(EA), eV: |
-9.33(0.99) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(1S)-1-[3-[[(4R)-4-ethyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]-4-methylphenyl]-1-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide