Geometry & MOs

Info

ID:	269545
PubChem CID:	103617920
Reduced:	FNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-122.84
Dipole, Da:	2.35
IP(EA), eV:	-8.74(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCC(=O)C2=C(C=CC(=C2)F)O)C

DOS

IR

Vibrations