Geometry & MOs
Info
ID: |
424772 |
PubChem CID: |
135123868 |
Reduced: |
FNSC10H12 (1) |
Stoich.: |
ABCD10E12 (1) |
Weight, g/mol: |
659.300222 |
ΔHf, kcal/mol: |
-29.43 |
Dipole, Da: |
3.75 |
IP(EA), eV: |
-8.6(-0.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(1S)-1-[3-[(4-ethyl-1,1-dihydroxy-3,4-dihydro-5,1lambda4,2-benzoxathiazepin-2-yl)methyl]-4-methylphenyl]-1-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropan-2-yl]-2H-tetrazole-5-carboxamide