Geometry & MOs

Info

ID:	292292
PubChem CID:	114915930
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	321.040583
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	6.65
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1N)C2=NC(=NO2)CCCOC

DOS

IR

Vibrations