Geometry & MOs

Info

ID:	38786
PubChem CID:	8137924
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	3.22
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(4-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)/C=C/C3=CC=CC=C3F

DOS

IR

Vibrations