Geometry & MOs

Info

ID:	18420
PubChem CID:	540758
Reduced:	ClNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	251.017163
ΔH_f, kcal/mol:	3.54
Dipole, Da:	5.18
IP(EA), eV:	-9.5(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(N=C(S1)C2=CC=CC=C2)CCl

DOS

IR

Vibrations