Geometry & MOs

Info

ID:	260650
PubChem CID:	103198894
Reduced:	BrNO3F4H4C11 (1)
Stoich.:	ABC3D4E4F11 (1)
Weight, g/mol:	334.94049
ΔH_f, kcal/mol:	-243.23
Dipole, Da:	7.54
IP(EA), eV:	-10.44(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C2=NC(=C(O2)C(=O)O)C(F)F)F)Br

DOS

IR

Vibrations