Geometry & MOs

Info

ID:	265077
PubChem CID:	103509470
Reduced:	S2F3N3C9H10 (1)
Stoich.:	A2B3C3D9E10 (1)
Weight, g/mol:	326.148656
ΔH_f, kcal/mol:	-113.6
Dipole, Da:	6.04
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(F)(F)F)C1=C(C(=C(S1)C#N)N)SC

DOS

IR

Vibrations