Geometry & MOs

Info

ID:	374133
PubChem CID:	131324121
Reduced:	SF2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	223.030314
ΔH_f, kcal/mol:	-153.3
Dipole, Da:	5.17
IP(EA), eV:	-8.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(3-methyl-1,2-oxazol-4-yl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(SC2=C1C=C(C=C2)O)C(F)F

DOS

IR

Vibrations