Geometry & MOs

Info

ID:	260676
PubChem CID:	103199605
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	345.91784
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	2.96
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(5-bromo-2-chlorophenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=NC(=C(S2)N)C(=O)OC)Cl

DOS

IR

Vibrations