Geometry & MOs

Info

ID:	33751
PubChem CID:	7887938
Reduced:	BrFO5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	333.047107
ΔH_f, kcal/mol:	-185.11
Dipole, Da:	3.45
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)F

DOS

IR

Vibrations