Geometry & MOs

Info

ID:	284792
PubChem CID:	104072271
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	-1.58
Dipole, Da:	6.62
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations