Geometry & MOs

Info

ID:	56143
PubChem CID:	17422175
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	2.51
Dipole, Da:	5.85
IP(EA), eV:	-8.42(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-hydroxy-1-propylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2)C3=NN=C(SC3)NC(C)(C)C)NC1=O

DOS

IR

Vibrations