Geometry & MOs

Info

ID:

229995

PubChem CID:

87569841

Reduced:

O6C23H26 (2)

Stoich.:

A6B23C26 (2)

Weight, g/mol:

507.225702

ΔHf, kcal/mol:

-237.06

Dipole, Da:

4.78

IP(EA), eV:

 -8.59(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E)-3-[4-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3(CC1(CC(C2)(C3)C4=C(C=C(C=C4)OCC5CO5)OCC6CO6)C7=C(C=C(C=C7)OCC8CO8)OCC9CO9)C1=C(C=C(C=C1)OCC1CO1)OCC1CO1

DOS

IR

Vibrations