Geometry & MOs

Info

ID:	156524
PubChem CID:	56370998
Reduced:	N5O6H17C19 (1)
Stoich.:	A5B6C17D19 (1)
Weight, g/mol:	381.061712
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	4.04
IP(EA), eV:	-9.08(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenoxy)methyl]-4-(2-pyrazol-1-ylethylsulfonylmethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations