Geometry & MOs

Info

ID:	378390
PubChem CID:	134224469
Reduced:	OSF2N3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	606.086446
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	4.92
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-difluoro-4-[(Z)-1,1,2,3,4,4,4-heptafluorobut-2-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene

Drug info:

PubChemData

Smile

C1=CN=CN=C1NSC2=C(C=C(C=C2F)O)F

DOS

IR

Vibrations