Geometry & MOs

Info

ID:	396653
PubChem CID:	135028988
Reduced:	SO2H12C18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	344.89322
ΔH_f, kcal/mol:	12.49
Dipole, Da:	2.96
IP(EA), eV:	-8.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/2\[C@H](C3=C(C2=O)SC4=CC=CC=C43)O

DOS

IR

Vibrations