Geometry & MOs

Info

ID:	284790
PubChem CID:	104072267
Reduced:	SO2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	9.25
Dipole, Da:	7.62
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations