Geometry & MOs

Info

ID:	205166
PubChem CID:	80062912
Reduced:	NO2S2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	4.71
IP(EA), eV:	-9.1(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonylcyclohexyl)-pyrimidin-4-ylmethanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)C(C2=CC=CS2)N

DOS

IR

Vibrations