Geometry & MOs

Info

ID:	208697
PubChem CID:	80568060
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	331.90219
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	7.32
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations