Geometry & MOs

Info

ID:	404792
PubChem CID:	135071001
Reduced:	FSN2O2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	206.147079
ΔH_f, kcal/mol:	-54.58
Dipole, Da:	8.72
IP(EA), eV:	-10.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-1-fluorobut-3-en-2-yl]-4-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C#N)C2=CC=CC=C2F

DOS

IR

Vibrations