Geometry & MOs

Info

ID:	77643
PubChem CID:	49658563
Reduced:	FS2N3O4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	2.3
IP(EA), eV:	-8.23(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations