Geometry & MOs

Info

ID:	26411
PubChem CID:	647046
Reduced:	FO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	179.976026
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	8.16
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,2-thiazole-3-carboxylic acid;hydron;chloride

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(N=C(O2)COC3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations