Geometry & MOs

Info

ID:

226393

PubChem CID:

87351798

Reduced:

N6O10C21H36 (1)

Stoich.:

A6B10C21D36 (1)

Weight, g/mol:

531.265276

ΔHf, kcal/mol:

-480.75

Dipole, Da:

7.02

IP(EA), eV:

 -9.36(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)N

DOS

IR

Vibrations