Geometry & MOs

Info

ID:	83968
PubChem CID:	49862940
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	346.078742
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	5.06
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(4-fluorophenyl)-4-(furan-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C(=N\OC(=O)N1CCCCC1)/C2=CC=CC(=C2)C3=CC=CS3

DOS

IR

Vibrations