Geometry & MOs

Info

ID:	265076
PubChem CID:	103509469
Reduced:	OSF3N3C11H12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	281.026824
ΔH_f, kcal/mol:	-162.65
Dipole, Da:	5.61
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-methylsulfanyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(S1)N(C)CC(F)(F)F)C#N)N

DOS

IR

Vibrations