Geometry & MOs

Info

ID:	65197
PubChem CID:	29204597
Reduced:	SCl2N3O5H15C16 (1)
Stoich.:	AB2C3D5E15F16 (1)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	6.03
IP(EA), eV:	-9.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations