Geometry & MOs

Info

ID:	209480
PubChem CID:	80677965
Reduced:	BrNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	339.02925
ΔH_f, kcal/mol:	-109.35
Dipole, Da:	4.99
IP(EA), eV:	-9.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2CBr

DOS

IR

Vibrations