Geometry & MOs

Info

ID:	260680
PubChem CID:	103199716
Reduced:	SF2N2O3H10C12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	302.033683
ΔH_f, kcal/mol:	-173.8
Dipole, Da:	2.93
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C2=CC=C(C=C2)OC(F)F)N

DOS

IR

Vibrations