Geometry & MOs

Info

ID:	140636
PubChem CID:	52734241
Reduced:	OSCl2N5H17C20 (1)
Stoich.:	ABC2D5E17F20 (1)
Weight, g/mol:	411.068737
ΔH_f, kcal/mol:	101.09
Dipole, Da:	4.65
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations