Geometry & MOs
Info
ID: |
424496 |
PubChem CID: |
135122904 |
Reduced: |
NOC6H7 (2) |
Stoich.: |
ABC6D7 (2) |
Weight, g/mol: |
739.267584 |
ΔHf, kcal/mol: |
-47.34 |
Dipole, Da: |
2.8 |
IP(EA), eV: |
-9.23(-0.82) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[3-[[4-[[3-methoxy-2,2-dimethyl-1-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]phenyl]-3-oxopropoxy]methyl]triazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid