Geometry & MOs

Info

ID:	127445
PubChem CID:	51002555
Reduced:	FS2N3O4H18C20 (1)
Stoich.:	AB2C3D4E18F20 (1)
Weight, g/mol:	384.105625
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	4.96
IP(EA), eV:	-9.4(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,4-dimethyl-3-(6-methylpyridin-3-yl)-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)S(=O)(=O)C)C3=C(C(=C(C=C3)C#N)OC)F)C

DOS

IR

Vibrations