Geometry & MOs

Info

ID:	300244
PubChem CID:	121269924
Reduced:	SF3N3O3H10C18 (1)
Stoich.:	AB3C3D3E10F18 (1)
Weight, g/mol:	384.019176
ΔH_f, kcal/mol:	-95.81
Dipole, Da:	8.73
IP(EA), eV:	-9.92(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-amino-4-(difluoromethyl)-2-fluoro-7-hydroxy-6-oxo-2H-1-benzothiophen-5-yl]oxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1C(C(=O)C2=C(C=CC(=C21)OC3=CC(=CC(=C3)C#N)F)S(=NC#N)(=O)CF)F

DOS

IR

Vibrations