Geometry & MOs

Info

ID:

440693

PubChem CID:

135230990

Reduced:

ISH13C21 (1)

Stoich.:

ABC13D21 (1)

Weight, g/mol:

966.364518

ΔHf, kcal/mol:

89.43

Dipole, Da:

3.09

IP(EA), eV:

-8.52(-1.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-[5-[2-(3-methylpentan-3-yl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]-5-[1-[4-(3-methylpentan-3-yl)phenyl]-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=C2)C4=C(S3)C5=C(C=C4)C=C(C=C5)I

DOS

IR

Vibrations