Geometry & MOs

Info

ID:

223107

PubChem CID:

85334519

Reduced:

SO14N15C51H91 (1)

Stoich.:

AB14C15D51E91 (1)

Weight, g/mol:

1170.628475

ΔHf, kcal/mol:

-735.26

Dipole, Da:

8.84

IP(EA), eV:

 -9.22(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)N

DOS

IR

Vibrations