Geometry & MOs

Info

ID:

222889

PubChem CID:

85332929

Reduced:

N3O8H31C32 (1)

Stoich.:

A3B8C31D32 (1)

Weight, g/mol:

585.359845

ΔHf, kcal/mol:

-204.64

Dipole, Da:

3.33

IP(EA), eV:

 -8.89(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-acetamido-3-hydroxybutanoyl)amino]-N-[1-[[5-(diaminomethylideneamino)-1-(ethylamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OCC3=C(C=CN=C3)C(=O)O)C=C(CC4=CC5=C(C=C4)OCO5)C(=O)O

DOS

IR

Vibrations