Geometry & MOs

Info

ID:

299590

PubChem CID:

117688069

Reduced:

N5O8C36H37 (1)

Stoich.:

A5B8C36D37 (1)

Weight, g/mol:

659.154968

ΔHf, kcal/mol:

-199.12

Dipole, Da:

5.3

IP(EA), eV:

 -8.63(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2,6-dichlorobenzoyl)amino]-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=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations