Geometry & MOs

Info

ID:

162304

PubChem CID:

57394246

Reduced:

O2N5H19C20 (1)

Stoich.:

A2B5C19D20 (1)

Weight, g/mol:

1537.777658

ΔHf, kcal/mol:

27.31

Dipole, Da:

1.32

IP(EA), eV:

-8.89(-0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-(carboxymethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)OC)NC(=O)C2=CC3=C(N2)N=C(C=C3)C4=CNN=C4

DOS

IR

Vibrations