Geometry & MOs

Info

ID:

47646

PubChem CID:

10534562

Reduced:

P2O8C44H53 (2)

Stoich.:

A2B8C44D53 (2)

Weight, g/mol:

1552.897714

ΔHf, kcal/mol:

-638.2

Dipole, Da:

8.72

IP(EA), eV:

 -8.58(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CCCCCC1C2=CC3=C4C(=C2OCOC5=C(C6=C(C=C15)C(C7=CC8=C(C(=C7OCO6)CP(=O)(C9=CC=CC=C9)OCC)OCOC1=C(C8CCCCC)C=C(C3CCCCC)C(=C1CP(=O)(C1=CC=CC=C1)OCC)OCO4)CCCCC)CP(=O)(C1=CC=CC=C1)OCC)CP(=O)(C1=CC=CC=C1)OCC

DOS

IR

Vibrations