Geometry & MOs

Info

ID:	306047
PubChem CID:	125000904
Reduced:	SO4N5C16H19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	7.03
IP(EA), eV:	-9.74(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC[C@H]1C2=NC=C(N=C2)C3=CC(=CN=C3)C(=O)O

DOS

IR

Vibrations