Geometry & MOs

Info

ID:	265075
PubChem CID:	103509268
Reduced:	SN2O2C5H7 (2)
Stoich.:	AB2C2D5E7 (2)
Weight, g/mol:	291.065318
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	4.85
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=C(C(=C(S2)C(=O)N)N)C(=O)N

DOS

IR

Vibrations