Geometry & MOs

Info

ID:

223257

PubChem CID:

85334756

Reduced:

N13O17C68H107 (1)

Stoich.:

A13B17C68D107 (1)

Weight, g/mol:

1379.734354

ΔHf, kcal/mol:

-860.24

Dipole, Da:

23.36

IP(EA), eV:

 -9.12(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[4-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(C(C)O)NC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C5CCCN5

DOS

IR

Vibrations