Geometry & MOs

Info

ID:	300209
PubChem CID:	121269856
Reduced:	S2F4O4H8C17 (1)
Stoich.:	A2B4C4D8E17 (1)
Weight, g/mol:	386.957991
ΔH_f, kcal/mol:	-258.57
Dipole, Da:	6.3
IP(EA), eV:	-9.16(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-2,2-difluoro-6,7-dihydroxy-3-oxo-1-benzothiophen-5-yl)oxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C=CSC2=C1)OC3=C(C4=C(C=C3)S(=O)(=O)C(C4=O)(F)F)C(F)F

DOS

IR

Vibrations