Geometry & MOs

Info

ID:

299615

PubChem CID:

117688155

Reduced:

F3N5O8C31H32 (1)

Stoich.:

A3B5C8D31E32 (1)

Weight, g/mol:

699.257414

ΔHf, kcal/mol:

-384.35

Dipole, Da:

4.06

IP(EA), eV:

 -8.64(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[5-[[(4-methoxypyridin-2-yl)amino]methyl]-1-phenylmethoxycarbonyloxypyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1C(CN(C1CNC2=CC=CC=N2)OC(=O)OCC3=CC=CC=C3)OCC(=O)NCC(C(=O)O)NC(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations