Geometry & MOs

Info

ID:	443619
PubChem CID:	135259540
Reduced:	SO2N3F8H15C20 (1)
Stoich.:	AB2C3D8E15F20 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-415.58
Dipole, Da:	3.34
IP(EA), eV:	-9.81(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)C2=C(SC=N2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C(F)F

DOS

IR

Vibrations