Geometry & MOs

Info

ID:

178850

PubChem CID:

76389671

Reduced:

FN7O14C41H54 (1)

Stoich.:

AB7C14D41E54 (1)

Weight, g/mol:

959.33359

ΔHf, kcal/mol:

-668.31

Dipole, Da:

9.76

IP(EA), eV:

 -9.59(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-4-[[1-carboxy-2-(2,3,4,5,6-pentafluorophenyl)ethyl]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=C1F)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations