Geometry & MOs

Info

ID:	250520
PubChem CID:	103097271
Reduced:	SO2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	264.053276
ΔH_f, kcal/mol:	71.26
Dipole, Da:	4.4
IP(EA), eV:	-9.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations