Geometry & MOs

Info

ID:	295097
PubChem CID:	117517198
Reduced:	BrNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	345.03981
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	5.6
IP(EA), eV:	-9.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-2-methylsulfonylphenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC(=C(C=C2)OC3CS(=O)(=O)C3)Br)N

DOS

IR

Vibrations