Geometry & MOs

Info

ID:	374508
PubChem CID:	131330623
Reduced:	BrF2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	166.037842
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	1.85
IP(EA), eV:	-8.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyanomethyl)-3-methyl-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=C(C2=C(C=CC=C2S1)C(F)F)CBr

DOS

IR

Vibrations