Geometry & MOs

Info

ID:	12205
PubChem CID:	132302
Reduced:	SO3N5C11H19 (1)
Stoich.:	AB3C5D11E19 (1)
Weight, g/mol:	301.120861
ΔH_f, kcal/mol:	-80.73
Dipole, Da:	6.39
IP(EA), eV:	-9.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCN(CC1)C2=NC(=NC=C2)CO

DOS

IR

Vibrations