Geometry & MOs

Info

ID:

227096

PubChem CID:

87560175

Reduced:

O2N3F8C23H23 (1)

Stoich.:

A2B3C8D23E23 (1)

Weight, g/mol:

666.317726

ΔHf, kcal/mol:

-455.61

Dipole, Da:

4.87

IP(EA), eV:

 -9.21(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-[5-(2-carbamoylpyrrolidin-1-yl)-2-fluoro-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]phenyl]-2-oxoethyl]-4-methoxyphenyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)OC3=NC(=C(C=C3)C(=O)N)CCC(C(F)F)(F)F)CCC(C(F)F)(F)F

DOS

IR

Vibrations