Geometry & MOs

Info

ID:	155868
PubChem CID:	56368014
Reduced:	ClNSO3F4H12C16 (1)
Stoich.:	ABCD3E4F12G16 (1)
Weight, g/mol:	453.072547
ΔH_f, kcal/mol:	-287.15
Dipole, Da:	3.17
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)OC(F)F

DOS

IR

Vibrations