Geometry & MOs

Info

ID:	355811
PubChem CID:	127290663
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	382.142324
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	4.32
IP(EA), eV:	-8.85(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)CC4=NC=CN4C)C=CC=N2

DOS

IR

Vibrations