Geometry & MOs

Info

ID:	327202
PubChem CID:	126689206
Reduced:	FSC2H3O3 (1)
Stoich.:	ABC2D3E3 (1)
Weight, g/mol:	533.186318
ΔH_f, kcal/mol:	-160.32
Dipole, Da:	2.03
IP(EA), eV:	-10.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[fluoro(dipyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate

Drug info:

PubChemData

Smile

C=C(OS(=O)O)F

DOS

IR

Vibrations