Geometry & MOs

Info

ID:	127444
PubChem CID:	51002554
Reduced:	SF2O2N3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	447.072277
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	7.47
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,4-dimethyl-3-(4-methylsulfonylphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluoro-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)F)C3=C(C(=C(C=C3)C#N)OC)F)C

DOS

IR

Vibrations