Geometry & MOs

Info

ID:

439469

PubChem CID:

135229243

Reduced:

N2O3C17H29 (2)

Stoich.:

A2B3C17D29 (2)

Weight, g/mol:

1164.554019

ΔHf, kcal/mol:

-318.53

Dipole, Da:

7.54

IP(EA), eV:

 -8.98(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)-2-[[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]-[4-[(2Z,4E)-2-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)-1-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]hepta-2,4,6-trienyl]phenyl]methyl]benzene

Drug info:

PubChemData

Smile

CCCN(CC([C@H](C)C(=O)NCCC1=CC=CC=C1)OC)C(=O)C[C@@H]([C@@H]([C@H](C)CC)N(C)C(=O)CNC(=O)CC(C)C)OC

DOS

IR

Vibrations