Geometry & MOs

Info

ID:	35805
PubChem CID:	7980346
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	359.038292
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	6.39
IP(EA), eV:	-9.39(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations