Geometry & MOs

Info

ID:

432762

PubChem CID:

135172899

Reduced:

N2O6H22C27 (1)

Stoich.:

A2B6C22D27 (1)

Weight, g/mol:

948.557207

ΔHf, kcal/mol:

-144.33

Dipole, Da:

4.51

IP(EA), eV:

 -9.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(3S,5R)-2-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]-6-methyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C=C1CC2(C3=CC=CC=C3N(C2=O)CCCN4C5=CC=CC=C5C6(C4=O)CC(=C)C(=O)O6)OC1=O

DOS

IR

Vibrations