Geometry & MOs

Info

ID:	226502
PubChem CID:	87457653
Reduced:	OH12C14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	602.117093
ΔH_f, kcal/mol:	126.88
Dipole, Da:	2.03
IP(EA), eV:	-8.95(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-1-[[2-(pyrazin-2-ylamino)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C=CC1=CC=CC=C1.C1=CC=C2C(=C1)O2

DOS

IR

Vibrations