Geometry & MOs

Info

ID:	206967
PubChem CID:	80326517
Reduced:	ClSN2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	321.131799
ΔH_f, kcal/mol:	41.3
Dipole, Da:	1.32
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(CC2=CC(=CC=C2)Cl)CNC3CC3

DOS

IR

Vibrations