Geometry & MOs

Info

ID:	155456
PubChem CID:	56365558
Reduced:	SCl2N3O4H15C18 (1)
Stoich.:	AB2C3D4E15F18 (1)
Weight, g/mol:	427.03691
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	3.23
IP(EA), eV:	-8.72(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC=C(C=C2)NS(=O)(=O)C3=C(N=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations