Geometry & MOs

Info

ID:

335861

PubChem CID:

127254723

Reduced:

NF3O5H24C36 (1)

Stoich.:

AB3C5D24E36 (1)

Weight, g/mol:

334.08481

ΔHf, kcal/mol:

-158.05

Dipole, Da:

8.11

IP(EA), eV:

 -8.52(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-oxo-5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)C(F)(F)F

DOS

IR

Vibrations