Geometry & MOs

Info

ID:

299591

PubChem CID:

117688073

Reduced:

Cl2N5O8C30H31 (1)

Stoich.:

A2B5C8D30E31 (1)

Weight, g/mol:

641.215549

ΔHf, kcal/mol:

-239.02

Dipole, Da:

2.37

IP(EA), eV:

 -8.69(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzylsulfonylamino)-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]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=C4Cl)Cl

DOS

IR

Vibrations