Geometry & MOs

Info

ID:	139563
PubChem CID:	52558082
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	358.078742
ΔH_f, kcal/mol:	-189.8
Dipole, Da:	3.34
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OC)OC

DOS

IR

Vibrations