Geometry & MOs

Info

ID:	284798
PubChem CID:	104072280
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	267.067762
ΔH_f, kcal/mol:	7.39
Dipole, Da:	5.01
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(O3)C=O

DOS

IR

Vibrations