Geometry & MOs

Info

ID:	200308
PubChem CID:	79376429
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	269.023453
ΔH_f, kcal/mol:	35.22
Dipole, Da:	5.63
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2,4,6-trifluoroanilino)-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2(CCCC2)C

DOS

IR

Vibrations