Geometry & MOs

Info

ID:	203454
PubChem CID:	79832594
Reduced:	NF2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	346.97796
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	3.65
IP(EA), eV:	-9.11(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCC(COC)NCC1=CC(=C(C(=C1)F)O)F

DOS

IR

Vibrations