Geometry & MOs

Info

ID:

178852

PubChem CID:

76389673

Reduced:

N7O14C40H59 (1)

Stoich.:

A7B14C40D59 (1)

Weight, g/mol:

905.380699

ΔHf, kcal/mol:

-676.46

Dipole, Da:

13.21

IP(EA), eV:

 -9.77(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-[[2-[(2-acetamido-2-naphthalen-2-ylacetyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-4-[(1-carboxy-2-phenylethyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C2CCCCC2)NC(=O)C

DOS

IR

Vibrations