Geometry & MOs

Info

ID:	355822
PubChem CID:	127290674
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	382.142324
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	3.58
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations