Geometry & MOs

Info

ID:	23170
PubChem CID:	602631
Reduced:	SN2O2F5H5C11 (1)
Stoich.:	AB2C2D5E5F11 (1)
Weight, g/mol:	323.999189
ΔH_f, kcal/mol:	-255.35
Dipole, Da:	2.08
IP(EA), eV:	-9.83(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=C(N=C(NC1=O)SCC2=C(C(=C(C(=C2F)F)F)F)F)O

DOS

IR

Vibrations