Geometry & MOs

Info

ID:	300249
PubChem CID:	121269953
Reduced:	OSF3N3H6C10 (1)
Stoich.:	ABC3D3E6F10 (1)
Weight, g/mol:	462.067269
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	10.26
IP(EA), eV:	-9.94(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(difluoromethyl)-2,2-difluoro-6,7-dihydroxy-3-(2-methoxyethylamino)-3H-1-benzothiophen-5-yl]oxy]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

CS(=NC#N)(=O)C1=C(C(=C(C=C1)F)C(F)F)C#N

DOS

IR

Vibrations