Geometry & MOs

Info

ID:

215211

PubChem CID:

85084371

Reduced:

BrN4O11C34H37 (1)

Stoich.:

AB4C11D34E37 (1)

Weight, g/mol:

759.34392

ΔHf, kcal/mol:

-366.58

Dipole, Da:

7.82

IP(EA), eV:

 -8.35(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)C2=C3C(CN(C3=CC(=C2N1)OC(=O)CCC(=O)N4CCOCC4)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC

DOS

IR

Vibrations