Geometry & MOs

Info

ID:

215496

PubChem CID:

85084817

Reduced:

SO7N15C45H65 (1)

Stoich.:

AB7C15D45E65 (1)

Weight, g/mol:

959.536155

ΔHf, kcal/mol:

-264.25

Dipole, Da:

11.6

IP(EA), eV:

 -8.54(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-methylpentanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CS)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C

DOS

IR

Vibrations