Geometry & MOs

Info

ID:

377110

PubChem CID:

134223148

Reduced:

SN2O6H38C41 (1)

Stoich.:

AB2C6D38E41 (1)

Weight, g/mol:

717.276024

ΔHf, kcal/mol:

-83.47

Dipole, Da:

4.04

IP(EA), eV:

 -8.83(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[4-(6-buta-1,3-dien-2-yloxyhexoxy)benzoyl]oxy-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzothiazol-4-yl] 4-propoxybenzoate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)OCCCCCCOC(=C)C=C)SC(=N3)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations