Geometry & MOs

Info

ID:	67931
PubChem CID:	46507452
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	416.031016
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	4.35
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)NCC=C

DOS

IR

Vibrations