Geometry & MOs

Info

ID:	85440
PubChem CID:	49875143
Reduced:	ClN3S3O5H12C19 (1)
Stoich.:	AB3C3D5E12F19 (1)
Weight, g/mol:	303.054301
ΔH_f, kcal/mol:	-69.19
Dipole, Da:	5.72
IP(EA), eV:	-8.58(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[5-(4-fluorophenoxy)furan-2-yl]-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CN1/C(=C(\NC2=NC(=CS2)C3=CC4=CC=CC=C4O3)/O)/C(=O)C5=C(S1(=O)=O)C=C(S5)Cl

DOS

IR

Vibrations