Geometry & MOs

Info

ID:	140065
PubChem CID:	52639123
Reduced:	S2N3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	426.091725
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-chloro-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenoxy]methyl]pyridine

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations