Geometry & MOs

Info

ID:

299795

PubChem CID:

117695586

Reduced:

FN2O7C31H33 (1)

Stoich.:

AB2C7D31E33 (1)

Weight, g/mol:

698.254063

ΔHf, kcal/mol:

-297.82

Dipole, Da:

5.55

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-[2-(fluoromethyl)-4-methoxyphenyl]acetyl]amino]benzoyl]-[[4-[5-[4-(4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(CC1=CC=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)NC(=O)CC3=C(C=C(C=C3)OC)CF

DOS

IR

Vibrations