Geometry & MOs

Info

ID:	146093
PubChem CID:	53634914
Reduced:	OF3C25H43 (1)
Stoich.:	AB3C25D43 (1)
Weight, g/mol:	398.192252
ΔH_f, kcal/mol:	-278.56
Dipole, Da:	3.41
IP(EA), eV:	-9.84(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[tert-butyl-[3-[tert-butyl(2-cyanoethyl)amino]sulfanyl-2-oxoimidazolidin-1-yl]sulfanylamino]propanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCOC(CC=CC1CCC(CC1)C2CCCCC2)C(F)(F)F

DOS

IR

Vibrations