Geometry & MOs

Info

ID:	39073
PubChem CID:	8139638
Reduced:	BrOSN2C20H25 (1)
Stoich.:	ABCD2E20F25 (1)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	1.71
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations