Geometry & MOs

Info

ID:	310217
PubChem CID:	126576875
Reduced:	FNO3C26H30 (1)
Stoich.:	ABC3D26E30 (1)
Weight, g/mol:	328.95214
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	5.48
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-5-(5-fluoro-2-methylpyridin-4-yl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1CC1)C2=CC(=CC=C2)OCC3=NOC(=C3CC(C)C)C4=C(C=CC(=C4)OC)F

DOS

IR

Vibrations