Geometry & MOs

Info

ID:	250523
PubChem CID:	103097282
Reduced:	ClSN2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	67.45
Dipole, Da:	2.79
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=CC=CC=C2Cl

DOS

IR

Vibrations