Geometry & MOs

Info

ID:

214720

PubChem CID:

85083478

Reduced:

N3O5H31C36 (1)

Stoich.:

A3B5C31D36 (1)

Weight, g/mol:

585.384997

ΔHf, kcal/mol:

-43.17

Dipole, Da:

9.86

IP(EA), eV:

 -9.33(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[1-[2-(2,6-diaminohexanoylamino)-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C=NOCC6=CC=C(C=C6)C7=CC=CC=C7)CO

DOS

IR

Vibrations