Geometry & MOs

Info

ID:	228462
PubChem CID:	87564601
Reduced:	SiO4C7H15 (1)
Stoich.:	AB4C7D15 (1)
Weight, g/mol:	431.091532
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759705
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-5-yl-5,5-dimethyl-3-(2,3,5-trifluoro-4-methylsulfanylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(OCC1CO1)[Si](OC)OC

DOS

IR

Vibrations