Geometry & MOs

Info

ID:

220133

PubChem CID:

85165280

Reduced:

Br2N3H7C10 (2)

Stoich.:

A2B3C7D10 (2)

Weight, g/mol:

658.275112

ΔHf, kcal/mol:

135.24

Dipole, Da:

0.28

IP(EA), eV:

 -8.71(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[[3-(4-hydroxyphenyl)-2-[[1-(pyridine-3-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=C(C=C12)Br)N=NC3=C(C=C4C(=C(C(=NC4=N3)C)Br)C)Br)C)Br

DOS

IR

Vibrations