Geometry & MOs

Info

ID:	39202
PubChem CID:	8139908
Reduced:	S2N3O3C20H28 (1)
Stoich.:	A2B3C3D20E28 (1)
Weight, g/mol:	421.149384
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.016891
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations