Geometry & MOs

Info

ID:	198307
PubChem CID:	79084203
Reduced:	ClOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	3.1
IP(EA), eV:	-9.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(C2=CC=C(C=C2)C(C)(C)CC)Cl

DOS

IR

Vibrations