Geometry & MOs

Info

ID:

125814

PubChem CID:

50939975

Reduced:

N7O7C28H39 (1)

Stoich.:

A7B7C28D39 (1)

Weight, g/mol:

911.544017

ΔHf, kcal/mol:

-280.78

Dipole, Da:

8.59

IP(EA), eV:

 -8.54(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)C(=O)NCCNC(=O)[C@H](CO)N)CCCN)N

DOS

IR

Vibrations