Geometry & MOs

Info

ID:	68213
PubChem CID:	46507978
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	473.96882
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	1.22
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-iodobenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC=C(C=C3)OC

DOS

IR

Vibrations