Geometry & MOs

Info

ID:	208742
PubChem CID:	80574419
Reduced:	SF2N2O3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	224.036797
ΔH_f, kcal/mol:	-174.21
Dipole, Da:	3.28
IP(EA), eV:	-8.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1H-pyrazol-4-ylamino)-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=CSC(=N1)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations