Geometry & MOs

Info

ID:

219288

PubChem CID:

85098489

Reduced:

Cl3N3O5C37H38 (1)

Stoich.:

A3B3C5D37E38 (1)

Weight, g/mol:

711.439158

ΔHf, kcal/mol:

-133.18

Dipole, Da:

2.71

IP(EA), eV:

 -9.18(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[5-amino-2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCN1C(C(C(C(C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=O)NC5=C(C=C(C=C5Cl)Cl)Cl

DOS

IR

Vibrations