Geometry & MOs

Info

ID:	154955
PubChem CID:	56314512
Reduced:	FSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	426.152575
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	8.68
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-tert-butyl-1-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=C2)F)NC(=O)CCC3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations