Geometry & MOs

Info

ID:	127446
PubChem CID:	51002556
Reduced:	FSO2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	444.106768
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	8.18
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-cyano-2-fluoro-3-methoxyphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=C(C(=C(C=C3)C#N)OC)F

DOS

IR

Vibrations