Geometry & MOs

Info

ID:	284803
PubChem CID:	104072289
Reduced:	SN2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	12.24
Dipole, Da:	3.83
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations