Geometry & MOs

Info

ID:	209566
PubChem CID:	80688286
Reduced:	ClSN2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	262.054277
ΔH_f, kcal/mol:	-25.9
Dipole, Da:	9.71
IP(EA), eV:	-8.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[methyl(2-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C3=NC(=C(S3)C(=O)O)Cl

DOS

IR

Vibrations