Geometry & MOs

Info

ID:	131750
PubChem CID:	51257778
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	339.04444
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	3.57
IP(EA), eV:	-8.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations