Geometry & MOs

Info

ID:

56980

PubChem CID:

22395179

Reduced:

O9N11C37H59 (1)

Stoich.:

A9B11C37D59 (1)

Weight, g/mol:

620.30259

ΔHf, kcal/mol:

-409.76

Dipole, Da:

12.2

IP(EA), eV:

 -8.8(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations