Geometry & MOs

Info

ID:	374976
PubChem CID:	131408356
Reduced:	NCl2O2S2H5C8 (1)
Stoich.:	AB2C2D2E5F8 (1)
Weight, g/mol:	214.04415
ΔH_f, kcal/mol:	-35.37
Dipole, Da:	2.99
IP(EA), eV:	-9.68(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-4-hydroxy-4-(2-hydroxyphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CCl)S(=O)(=O)Cl)S)C#N

DOS

IR

Vibrations