Geometry & MOs

Info

ID:

223265

PubChem CID:

85334766

Reduced:

O15N23C61H103 (1)

Stoich.:

A15B23C61D103 (1)

Weight, g/mol:

1397.598909

ΔHf, kcal/mol:

-676.42

Dipole, Da:

10.39

IP(EA), eV:

 -9.04(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations