Geometry & MOs

Info

ID:	200816
PubChem CID:	79447917
Reduced:	BrO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	313.045876
ΔH_f, kcal/mol:	-98.96
Dipole, Da:	2.88
IP(EA), eV:	-9.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)CCC(CO)(CO)C1=CC(=CC=C1)Br

DOS

IR

Vibrations