Geometry & MOs

Info

ID:	426780
PubChem CID:	135153842
Reduced:	FSN3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	516.366219
ΔH_f, kcal/mol:	44.36
Dipole, Da:	2.72
IP(EA), eV:	-8.96(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-tert-butylperoxy-4-methylheptan-2-yl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=S)C2=NC=NC=C2)F

DOS

IR

Vibrations