Geometry & MOs

Info

ID:	284796
PubChem CID:	104072277
Reduced:	SO2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	259.041548
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	5.25
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC2=CC=C(O2)C=O

DOS

IR

Vibrations