Geometry & MOs

Info

ID:	38803
PubChem CID:	8137948
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-116.25
Dipole, Da:	7.75
IP(EA), eV:	-9.52(-0.72)
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]-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations