Geometry & MOs

Info

ID:

223900

PubChem CID:

85335733

Reduced:

N7O9C32H43 (1)

Stoich.:

A7B9C32D43 (1)

Weight, g/mol:

678.33369

ΔHf, kcal/mol:

-379.51

Dipole, Da:

7.94

IP(EA), eV:

 -9.36(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations