Geometry & MOs

Info

ID:	295307
PubChem CID:	117525983
Reduced:	SF2N2H4C10 (1)
Stoich.:	AB2C2D4E10 (1)
Weight, g/mol:	228.07212
ΔH_f, kcal/mol:	6.85
Dipole, Da:	5.54
IP(EA), eV:	-9.86(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC(=CS2)C#N)F)F

DOS

IR

Vibrations