Geometry & MOs

Info

ID:	209554
PubChem CID:	80687777
Reduced:	NSCl2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	301.009491
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	5.62
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(chloromethyl)-2-(2-propan-2-ylphenoxy)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OC3=NC(=C(S3)CCl)Cl)C

DOS

IR

Vibrations