Geometry & MOs

Info

ID:

299609

PubChem CID:

117688139

Reduced:

N5O8C29H39 (1)

Stoich.:

A5B8C29D39 (1)

Weight, g/mol:

605.248563

ΔHf, kcal/mol:

-285.67

Dipole, Da:

4.41

IP(EA), eV:

 -8.65(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC(CNC(=O)COC1CC(N(C1)OC(=O)OCC2=CC=CC=C2)CNC3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations