Geometry & MOs

Info

ID:

223917

PubChem CID:

85335777

Reduced:

N3O4C18H21 (2)

Stoich.:

A3B4C18D21 (2)

Weight, g/mol:

724.302784

ΔHf, kcal/mol:

-283.89

Dipole, Da:

8.75

IP(EA), eV:

 -8.74(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-5-[[2-[(1-carboxy-2-phenylethyl)amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCN1C=NC2=CC=CC3=C2C1=C4CN5C(=CC6=C(C5=O)COC(=O)C6(CC)OC(=O)CC(C(=O)O)NC(=O)C(CC(C)C)N)C4=N3

DOS

IR

Vibrations