Geometry & MOs

Info

ID:	201965
PubChem CID:	79610027
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	370.07145
ΔH_f, kcal/mol:	-123.44
Dipole, Da:	6.59
IP(EA), eV:	-9.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(CC2CCCN(C2)S(=O)(=O)C)O

DOS

IR

Vibrations