Geometry & MOs

Info

ID:	38736
PubChem CID:	8137845
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	4.61
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations