Geometry & MOs

Info

ID:	284805
PubChem CID:	104072291
Reduced:	S2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	220.030649
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	5.43
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(pyrimidin-4-ylsulfanylmethyl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)CCSCC1=CC=C(O1)C=O

DOS

IR

Vibrations