Geometry & MOs

Info

ID:	212583
PubChem CID:	81061091
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	302.083747
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	5.81
IP(EA), eV:	-9.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NCC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations