Geometry & MOs

Info

ID:

327669

PubChem CID:

126690692

Reduced:

N2O3H24C26 (1)

Stoich.:

A2B3C24D26 (1)

Weight, g/mol:

730.230214

ΔHf, kcal/mol:

-26.31

Dipole, Da:

3.55

IP(EA), eV:

 -8.62(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[4-[(3Z,5E)-6-fluorohepta-1,3,5-trien-2-yl]benzoyl]oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=COC(=N3)C4=CC=C(C=C4)CN(C)CC(=O)O

DOS

IR

Vibrations