Geometry & MOs

Info

ID:	284791
PubChem CID:	104072268
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	1.18
Dipole, Da:	6.87
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations