Geometry & MOs
Info
ID: |
424615 |
PubChem CID: |
135123331 |
Reduced: |
ClNOF2C3H8 (1) |
Stoich.: |
ABCD2E3F8 (1) |
Weight, g/mol: |
667.294074 |
ΔHf, kcal/mol: |
-191.37 |
Dipole, Da: |
3.49 |
IP(EA), eV: |
-10.84(1.23) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[1-[3-[[(4R)-4-ethyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-1-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropan-2-yl]pyridine-3-carboxamide