Geometry & MOs

Info

ID:

299607

PubChem CID:

117688132

Reduced:

F2N5O8C30H31 (1)

Stoich.:

A2B5C8D30E31 (1)

Weight, g/mol:

683.262499

ΔHf, kcal/mol:

-315.82

Dipole, Da:

3.0

IP(EA), eV:

 -8.67(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[5-[[(5-methylpyridin-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=C(C=CC=C4F)F

DOS

IR

Vibrations