Geometry & MOs

Info

ID:	80687
PubChem CID:	49835887
Reduced:	SO5N6C24H34 (1)
Stoich.:	AB5C6D24E34 (1)
Weight, g/mol:	284.096106
ΔH_f, kcal/mol:	-96.78
Dipole, Da:	6.64
IP(EA), eV:	-8.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-fluoro-3-phenylindazol-1-yl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO

DOS

IR

Vibrations