Geometry & MOs

Info

ID:	265510
PubChem CID:	103526751
Reduced:	NS2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	4.93
IP(EA), eV:	-8.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophen-2-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=C1N)C(=O)C2CC2)SC

DOS

IR

Vibrations