Geometry & MOs

Info

ID:

215232

PubChem CID:

85084404

Reduced:

N9O10C35H61 (1)

Stoich.:

A9B10C35D61 (1)

Weight, g/mol:

768.38064

ΔHf, kcal/mol:

-511.32

Dipole, Da:

2.08

IP(EA), eV:

 -9.68(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)NC(=O)CN

DOS

IR

Vibrations