Geometry & MOs

Info

ID:	208712
PubChem CID:	80569546
Reduced:	N2O2S2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	379.87887
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	7.41
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-2,6-dichloroanilino)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C2=NC(=CS2)C(=O)O

DOS

IR

Vibrations