Geometry & MOs

Info

ID:	201976
PubChem CID:	79612063
Reduced:	N2S2O4C11H20 (1)
Stoich.:	A2B2C4D11E20 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	-160.73
Dipole, Da:	9.31
IP(EA), eV:	-9.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(4-bromobenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CNC2CS(=O)(=O)C=C2

DOS

IR

Vibrations