Geometry & MOs

Info

ID:	121239
PubChem CID:	50759659
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	407.050668
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	6.36
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4C(CC5=CC=CC=C54)C

DOS

IR

Vibrations