Geometry & MOs

Info

ID:	374060
PubChem CID:	131323125
Reduced:	BrClOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	2.95
IP(EA), eV:	-8.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylphenyl)-5-(hydroxymethyl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCOC1=C2C(=C(C(=C1)CCl)Br)C=CS2

DOS

IR

Vibrations