Geometry & MOs

Info

ID:	284488
PubChem CID:	104050364
Reduced:	SCl2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	324.069927
ΔH_f, kcal/mol:	-157.4
Dipole, Da:	3.25
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)CS(=O)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations