Geometry & MOs

Info

ID:

223008

PubChem CID:

85333873

Reduced:

N11O13C38H67 (1)

Stoich.:

A11B13C38D67 (1)

Weight, g/mol:

885.491981

ΔHf, kcal/mol:

-655.03

Dipole, Da:

9.11

IP(EA), eV:

 -9.14(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[2-[[1-[2-[[2-[[2-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CO)N

DOS

IR

Vibrations