Geometry & MOs

Info

ID:

225153

PubChem CID:

85742028

Reduced:

ON2H6C13 (2)

Stoich.:

AB2C6D13 (2)

Weight, g/mol:

708.355488

ΔHf, kcal/mol:

159.74

Dipole, Da:

0.16

IP(EA), eV:

 -9.49(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[[2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=C2OC3=CC(=C(C=C3)C#N)C#N)C(=C1)OC4=CC(=C(C=C4)C#N)C#N

DOS

IR

Vibrations