Geometry & MOs

Info

ID:	70348
PubChem CID:	48413223
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	340.120526
ΔH_f, kcal/mol:	-87.73
Dipole, Da:	7.05
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#C)OCC

DOS

IR

Vibrations