Geometry & MOs

Info

ID:

215735

PubChem CID:

85085166

Reduced:

O10N15C69H101 (1)

Stoich.:

A10B15C69D101 (1)

Weight, g/mol:

1301.661566

ΔHf, kcal/mol:

-445.74

Dipole, Da:

3.83

IP(EA), eV:

 -8.3(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCCN)N

DOS

IR

Vibrations