Geometry & MOs

Info

ID:	425387
PubChem CID:	135126162
Reduced:	SF3O3N5C18H18 (1)
Stoich.:	AB3C3D5E18F18 (1)
Weight, g/mol:	272.94507
ΔH_f, kcal/mol:	-160.6
Dipole, Da:	6.02
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-fluoro-2-iodoethenyl)benzonitrile

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)C=C(C3=CN=C(C=N3)OC)F)F)F

DOS

IR

Vibrations