Geometry & MOs

Info

ID:	420135
PubChem CID:	135111362
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	5.09
IP(EA), eV:	-9.42(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3CC3

DOS

IR

Vibrations