Geometry & MOs

Info

ID:

51333

PubChem CID:

12013980

Reduced:

I2O3H32C41 (1)

Stoich.:

A2B3C32D41 (1)

Weight, g/mol:

1246.70545

ΔHf, kcal/mol:

35.55

Dipole, Da:

2.2

IP(EA), eV:

 -8.74(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[3,5-bis[4-[2-[3-tert-butyl-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]-4-(4-methylphenyl)phenyl]phenoxy]propyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=C(C=C2C3=CC=C(C=C3)I)C4=CC=C(C=C4)OCCCOC(=O)C5=CC=CC=C5)C6=CC=C(C=C6)I

DOS

IR

Vibrations