Geometry & MOs

Info

ID:	121235
PubChem CID:	50759638
Reduced:	ClFSO2N3H15C18 (1)
Stoich.:	ABCD2E3F15G18 (1)
Weight, g/mol:	407.050668
ΔH_f, kcal/mol:	-32.01
Dipole, Da:	6.56
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations