Geometry & MOs

Info

ID:

223029

PubChem CID:

85334054

Reduced:

SN7O11C38H75 (1)

Stoich.:

AB7C11D38E75 (1)

Weight, g/mol:

959.507631

ΔHf, kcal/mol:

-594.69

Dipole, Da:

5.1

IP(EA), eV:

 -9.24(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-5-[2-[2-[2-[[1-[[1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCS(=O)(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCCN)C(=O)NC(CO)C(=O)O

DOS

IR

Vibrations