Geometry & MOs

Info

ID:	373050
PubChem CID:	131309123
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	239.036462
ΔH_f, kcal/mol:	-5.07
Dipole, Da:	4.77
IP(EA), eV:	-10.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,2,4-thiadiazol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)CCl)C(=O)CCBr)CC#N

DOS

IR

Vibrations