Geometry & MOs

Info

ID:	290408
PubChem CID:	104469211
Reduced:	FNSH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	295.08647
ΔH_f, kcal/mol:	17.01
Dipole, Da:	2.09
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2=NC(=CS2)C3CC3

DOS

IR

Vibrations