Geometry & MOs

Info

ID:	447488
PubChem CID:	135283299
Reduced:	SO2F3N6H15C16 (1)
Stoich.:	AB2C3D6E15F16 (1)
Weight, g/mol:	242.005847
ΔH_f, kcal/mol:	-135.05
Dipole, Da:	6.47
IP(EA), eV:	-9.73(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-(2-chloro-5-fluoro-1H-pyrimidin-6-ylidene)-2-fluorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(C=C1)N)C2=NN=C(N2C)C3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations