Geometry & MOs

Info

ID:	315102
PubChem CID:	126624439
Reduced:	OSF3N5H20C21 (1)
Stoich.:	ABC3D5E20F21 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-106.83
Dipole, Da:	3.75
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2,4-dimethoxyphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F)C4=CN=CC=C4

DOS

IR

Vibrations