Geometry & MOs

Info

ID:	373504
PubChem CID:	131316247
Reduced:	ClSN2F3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	306.095748
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	4.83
IP(EA), eV:	-9.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylazetidin-3-yl)-4-(chloromethyl)-5-ethyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC=CC=C2)C3=NC(=C(S3)CCl)C(F)(F)F

DOS

IR

Vibrations