Geometry & MOs

Info

ID:

377192

PubChem CID:

134223231

Reduced:

NOSC21H39 (2)

Stoich.:

ABCD21E39 (2)

Weight, g/mol:

2020.019385

ΔHf, kcal/mol:

-156.44

Dipole, Da:

3.91

IP(EA), eV:

-7.73(-0.58)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCOCC(CSSC/C(=C/N)/N)OCCCCCCCC/C=C\C/C=C\CCCCC

DOS

IR

Vibrations