Geometry & MOs

Info

ID:

327598

PubChem CID:

126690468

Reduced:

NF3O5C24H30 (1)

Stoich.:

AB3C5D24E30 (1)

Weight, g/mol:

688.214484

ΔHf, kcal/mol:

-362.36

Dipole, Da:

6.11

IP(EA), eV:

 -8.58(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(2-imidazol-1-ylbenzoyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)OCOCC1=C(C=C(C=C1)NC(=O)CC2=C(C=C(C=C2)OC)C(F)(F)F)OC(C)C

DOS

IR

Vibrations