Geometry & MOs

Info

ID:

299610

PubChem CID:

117688140

Reduced:

N5O8C31H35 (1)

Stoich.:

A5B8C31D35 (1)

Weight, g/mol:

647.295513

ΔHf, kcal/mol:

-227.08

Dipole, Da:

2.74

IP(EA), eV:

 -8.81(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-(5-phenylpentanoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1C(CN(C1CNC2=CC=CC=N2)OC(=O)OCC3=CC=CC=C3)OCC(=O)NCCNC(=O)C(C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations