Geometry & MOs

Info

ID:	77645
PubChem CID:	49658567
Reduced:	N2O2S2H16C19 (1)
Stoich.:	A2B2C2D16E19 (1)
Weight, g/mol:	446.016177
ΔH_f, kcal/mol:	66.09
Dipole, Da:	1.16
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(4-chlorophenyl)sulfonylmethyl]furan-2-yl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC2=CC=C(O2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations