Geometry & MOs

Info

ID:	67934
PubChem CID:	46507463
Reduced:	BrFOSN4H16C21 (1)
Stoich.:	ABCDE4F16G21 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	71.75
Dipole, Da:	5.71
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(3-ethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC3=NC(=NO3)C4=CC(=C(C=C4)F)Br)C

DOS

IR

Vibrations