Geometry & MOs

Info

ID:

223113

PubChem CID:

85334525

Reduced:

N12O17C55H76 (1)

Stoich.:

A12B17C55D76 (1)

Weight, g/mol:

1176.635886

ΔHf, kcal/mol:

-754.07

Dipole, Da:

11.52

IP(EA), eV:

 -8.73(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[6-amino-2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations