Geometry & MOs

Info

ID:	67932
PubChem CID:	46507453
Reduced:	ClOSF2N4H11C19 (1)
Stoich.:	ABCD2E4F11G19 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	31.08
Dipole, Da:	6.18
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-5-[[6-[4-(2-methylpropyl)phenyl]pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C(C=C2)SCC3=NC(=NO3)C4=CC(=C(C=C4)Cl)F)F

DOS

IR

Vibrations