Geometry & MOs

Info

ID:	295561
PubChem CID:	117534233
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	252.012412
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	4.02
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-5-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(N=C(S2)C)C(=O)C

DOS

IR

Vibrations