Geometry & MOs

Info

ID:

327605

PubChem CID:

126690491

Reduced:

NO4C18H18 (2)

Stoich.:

AB4C18D18 (2)

Weight, g/mol:

698.356717

ΔHf, kcal/mol:

-247.96

Dipole, Da:

3.28

IP(EA), eV:

 -8.99(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(3Z,5E)-5-(4-heptoxybenzoyl)oxy-7-methylocta-3,5-dienyl]-[4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CN(CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations