Geometry & MOs

Info

ID:	350879
PubChem CID:	127279167
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	9.11
IP(EA), eV:	-9.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1,3-benzodioxol-5-ylmethyl(cyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations