Geometry & MOs

Info

ID:	284489
PubChem CID:	104050490
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	1.92
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[ethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=CSC(=N1)NC2=CC=CC=C2Cl

DOS

IR

Vibrations