Geometry & MOs

Info

ID:	250519
PubChem CID:	103097269
Reduced:	SCl2N2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	273.057198
ΔH_f, kcal/mol:	61.04
Dipole, Da:	4.01
IP(EA), eV:	-9.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations