Geometry & MOs

Info

ID:	59838
PubChem CID:	24899384
Reduced:	O7C20H22 (1)
Stoich.:	A7B20C22 (1)
Weight, g/mol:	234.971497
ΔH_f, kcal/mol:	-253.49
Dipole, Da:	1.96
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrafluorobenzoyl isothiocyanate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@H]2[C@@H]([C@H](OC2=O)C3=CC(=C(C=C3)O)OC)CO)O

DOS

IR

Vibrations