Geometry & MOs

Info

ID:

215728

PubChem CID:

85085157

Reduced:

N11O14C66H117 (1)

Stoich.:

A11B14C66D117 (1)

Weight, g/mol:

1288.699549

ΔHf, kcal/mol:

-673.26

Dipole, Da:

14.01

IP(EA), eV:

 -9.12(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[1-[2-[[6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC=CCC(C)C(C1CNC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)CC(C)C)C)C)C(C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations