Geometry & MOs

Info

ID:	157478
PubChem CID:	56430433
Reduced:	Cl2N2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	5.48
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(C2CCC(CC2)O)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations