Geometry & MOs

Info

ID:	208696
PubChem CID:	80568059
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	8.44
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC(=CS2)C(=O)O

DOS

IR

Vibrations