Geometry & MOs

Info

ID:	127443
PubChem CID:	51002553
Reduced:	ClFOSN4H12C19 (1)
Stoich.:	ABCDE4F12G19 (1)
Weight, g/mol:	387.085304
ΔH_f, kcal/mol:	37.66
Dipole, Da:	5.27
IP(EA), eV:	-9.46(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations