Geometry & MOs

Info

ID:

59783

PubChem CID:

24896990

Reduced:

N2C11H13 (2)

Stoich.:

A2B11C13 (2)

Weight, g/mol:

594.264941

ΔHf, kcal/mol:

74.13

Dipole, Da:

6.31

IP(EA), eV:

 -8.74(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H]2CCN(C2)CC3=CC=C(C=C3)N4C=NC5=CC=CC=C54

DOS

IR

Vibrations