Geometry & MOs

Info

ID:	77647
PubChem CID:	49658570
Reduced:	SN2O4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	450.161329
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	7.19
IP(EA), eV:	-9.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-5-[5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)CC(C)C

DOS

IR

Vibrations