Geometry & MOs

Info

ID:

377537

PubChem CID:

134223595

Reduced:

SN2C6H10 (2)

Stoich.:

AB2C6D10 (2)

Weight, g/mol:

2441.250566

ΔHf, kcal/mol:

24.07

Dipole, Da:

4.64

IP(EA), eV:

-8.66(-0.93)

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-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=NC(=CC=C1)SSCCN=C(N)N

DOS

IR

Vibrations