Geometry & MOs

Info

ID:	430308
PubChem CID:	135170372
Reduced:	SF3O3N5C20H20 (1)
Stoich.:	AB3C3D5E20F20 (1)
Weight, g/mol:	186.096855
ΔH_f, kcal/mol:	-117.72
Dipole, Da:	2.35
IP(EA), eV:	-9.58(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N'-[(1E)-2-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide

Drug info:

PubChemData

Smile

C=CC(C12CC[C@@H]1[C@@H]3[C@H]2CN(C3)C(=O)C4=NNN=C4)NS(=O)(=O)C5=C(C=C(C(=C5)F)F)F

DOS

IR

Vibrations