Geometry & MOs

Info

ID:

432455

PubChem CID:

135172588

Reduced:

ClO4N7H36C37 (1)

Stoich.:

AB4C7D36E37 (1)

Weight, g/mol:

654.319268

ΔHf, kcal/mol:

-26.03

Dipole, Da:

8.27

IP(EA), eV:

 -9.16(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-6-[4-(4-pentylphenyl)phenyl]naphthalen-1-yl]oxyethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)C(=CC(=C3)CN4CCC(C4)(C)C(=O)O)Cl)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C)C#N

DOS

IR

Vibrations