Geometry & MOs

Info

ID:

12202

PubChem CID:

132260

Reduced:

N11O12C58H81 (1)

Stoich.:

A11B12C58D81 (1)

Weight, g/mol:

1123.606617

ΔHf, kcal/mol:

-467.06

Dipole, Da:

4.49

IP(EA), eV:

 -9.04(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N)NC(C(CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)C(C)(C)C)O

DOS

IR

Vibrations