Geometry & MOs

Info

ID:

340109

PubChem CID:

127262118

Reduced:

O5N9C34H69 (1)

Stoich.:

A5B9C34D69 (1)

Weight, g/mol:

464.311104

ΔHf, kcal/mol:

-287.79

Dipole, Da:

9.23

IP(EA), eV:

 -8.82(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]-ethylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

Drug info:

PubChemData

Smile

C(CCCC(=O)[C@](CCCCN)(C(=O)N)N(C(=O)CCCCCCCN)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)CCCN

DOS

IR

Vibrations