Geometry & MOs

Info

ID:	265063
PubChem CID:	103509110
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	331.102434
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	6.35
IP(EA), eV:	-8.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(3-ethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C2=C(C(=C(S2)C(=O)CC)N)C#N

DOS

IR

Vibrations