Geometry & MOs

Info

ID:	446462
PubChem CID:	135275192
Reduced:	FS2N3H5C12 (2)
Stoich.:	AB2C3D5E12 (2)
Weight, g/mol:	214.139137
ΔH_f, kcal/mol:	219.31
Dipole, Da:	7.46
IP(EA), eV:	-8.52(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(E)-4,4-dimethylpent-1-enyl] 2,2-dimethylpropanethioate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1N)N=S)C2=CC3=C(S2)C4=C(C3=C(C#N)C#N)C=C(S4)C5=C(C(=CC(=C5)F)N)N=S)F

DOS

IR

Vibrations