Geometry & MOs

Info

ID:

80106

PubChem CID:

49832976

Reduced:

FN6C30H39 (1)

Stoich.:

AB6C30D39 (1)

Weight, g/mol:

858.409181

ΔHf, kcal/mol:

33.91

Dipole, Da:

2.74

IP(EA), eV:

 -8.72(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H]2CCN(C2)C(C3=CC=C(C=C3)CN4CCC(CC4)F)C5=NN=CN5CC6=CC=CC=C6

DOS

IR

Vibrations