Geometry & MOs

Info

ID:

432724

PubChem CID:

135172861

Reduced:

N2O6H26C29 (1)

Stoich.:

A2B6C26D29 (1)

Weight, g/mol:

763.455385

ΔHf, kcal/mol:

-159.06

Dipole, Da:

6.88

IP(EA), eV:

 -9.12(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-methoxy-3-[(3S,6S)-2-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CC(CC(C)N1C2=CC=CC=C2C3(C1=O)CC(=C)C(=O)O3)N4C5=CC=CC=C5C6(C4=O)CC(=C)C(=O)O6

DOS

IR

Vibrations