Geometry & MOs

Info

ID:

432519

PubChem CID:

135172652

Reduced:

Cl2O4N8C39H46 (1)

Stoich.:

A2B4C8D39E46 (1)

Weight, g/mol:

584.334918

ΔHf, kcal/mol:

-110.83

Dipole, Da:

7.75

IP(EA), eV:

 -8.83(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-(6-pentylnaphthalen-2-yl)cyclohexyl]oxyethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CC7CCC(CC7)C(=O)O)Cl

DOS

IR

Vibrations