Geometry & MOs

Info

ID:	284802
PubChem CID:	104072288
Reduced:	S2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	220.030649
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	3.17
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(pyrazin-2-ylsulfanylmethyl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations