Geometry & MOs

Info

ID:	245475
PubChem CID:	99445131
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	355.985626
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	2.05
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)N[C@H](C)C2=C(N(N=C2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations