Geometry & MOs

Info

ID:

56981

PubChem CID:

22395180

Reduced:

S2N6O7C26H48 (1)

Stoich.:

A2B6C7D26E48 (1)

Weight, g/mol:

691.339704

ΔHf, kcal/mol:

-376.76

Dipole, Da:

12.64

IP(EA), eV:

 -9.3(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C(CS)N

DOS

IR

Vibrations