Geometry & MOs

Info

ID:	295562
PubChem CID:	117534284
Reduced:	ClOSN2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	5.8
Dipole, Da:	4.71
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-5-cyclohexyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC(=N1)N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations