Geometry & MOs

Info

ID:	359140
PubChem CID:	127297557
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	366.118418
ΔH_f, kcal/mol:	-154.56
Dipole, Da:	4.76
IP(EA), eV:	-9.44(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclohexylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1CN(CCO1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations