Geometry & MOs

Info

ID:	265025
PubChem CID:	103507233
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	331.102434
ΔH_f, kcal/mol:	-22.36
Dipole, Da:	7.44
IP(EA), eV:	-8.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1C)C2=C(C(=C(S2)C(=O)C)N)C#N

DOS

IR

Vibrations