Geometry & MOs

Info

ID:	190583
PubChem CID:	78024044
Reduced:	N2O3H8C11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	416.101763
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	3.67
IP(EA), eV:	-9.23(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxan-2-yloxy)-2-[[2-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=NC(=O)C(=O)C=N2

DOS

IR

Vibrations