Geometry & MOs

Info

ID:	300217
PubChem CID:	121269870
Reduced:	BrSF3O5H10C15 (1)
Stoich.:	ABC3D5E10F15 (1)
Weight, g/mol:	379.008135
ΔH_f, kcal/mol:	-283.63
Dipole, Da:	7.29
IP(EA), eV:	-9.81(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-5-fluorophenoxy)-3-hydroxy-2,2-dimethyl-6,7-dioxo-3H-1-benzothiophene-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)F)OC2=C(C3=C(C=C2)S(=O)(=O)C(C3O)(F)F)Br

DOS

IR

Vibrations