Geometry & MOs

Info

ID:

327636

PubChem CID:

126690575

Reduced:

N2F3O8H37C39 (1)

Stoich.:

A2B3C8D37E39 (1)

Weight, g/mol:

734.271605

ΔHf, kcal/mol:

-303.07

Dipole, Da:

5.39

IP(EA), eV:

 -9.24(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(Z)-1-amino-3-[4-(4-methylphenyl)phenyl]iminoprop-1-en-2-yl]phenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C=C=C(C=C2)CN(CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations