Geometry & MOs

Info

ID:

230054

PubChem CID:

87569966

Reduced:

O12C35H40 (2)

Stoich.:

A12B35C40 (2)

Weight, g/mol:

511.176165

ΔHf, kcal/mol:

-472.81

Dipole, Da:

5.94

IP(EA), eV:

 -8.2(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (Z)-2-(3-chlorophenyl)-3-[4-[2-hydroxy-3-[1-(2-methoxyphenoxy)ethylamino]propoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1C(O1)COC2=CC(=C(C=C2C34CC5(CC(C3)(CC(C4)(C5)C6=CC(=C(C=C6OCC7CO7)OCC8CO8)OCC9CO9)C1=CC(=C(C=C1OCC1CO1)OCC1CO1)OCC1CO1)C1=CC(=C(C=C1OCC1CO1)OCC1CO1)OCC1CO1)OCC1CO1)OCC1CO1

DOS

IR

Vibrations