Geometry & MOs

Info

ID:	205167
PubChem CID:	80062937
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	350.99623
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	6.88
IP(EA), eV:	-9.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)C(C2=NC=NC=C2)N

DOS

IR

Vibrations