Geometry & MOs

Info

ID:	85536
PubChem CID:	49876579
Reduced:	ClFSN3O4C26H28 (1)
Stoich.:	ABCD3E4F26G28 (1)
Weight, g/mol:	327.129787
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	8.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.772977
Charge, e:	-1

Chem-info

IUPAC name:

N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;chloride

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F.[Cl-]

DOS

IR

Vibrations