Geometry & MOs

Info

ID:	208713
PubChem CID:	80570813
Reduced:	BrSCl2N2O2H7C11 (1)
Stoich.:	ABC2D2E2F7G11 (1)
Weight, g/mol:	315.984004
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	1.79
IP(EA), eV:	-9.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(S1)NC2=C(C=C(C=C2Cl)Br)Cl

DOS

IR

Vibrations