Geometry & MOs

Info

ID:

223225

PubChem CID:

85334710

Reduced:

O17N18C58H106 (1)

Stoich.:

A17B18C58D106 (1)

Weight, g/mol:

1328.748607

ΔHf, kcal/mol:

-870.72

Dipole, Da:

8.45

IP(EA), eV:

 -9.09(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[[2-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)N)O

DOS

IR

Vibrations