Geometry & MOs

Info

ID:	298947
PubChem CID:	117664424
Reduced:	ClO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	434.166414
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	3.64
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4-cyclopentyloxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C=C1OC)C2=CC=CC=C2CCCl)O

DOS

IR

Vibrations