Geometry & MOs

Info

ID:

224110

PubChem CID:

85338343

Reduced:

O3N4H30C32 (1)

Stoich.:

A3B4C30D32 (1)

Weight, g/mol:

632.316977

ΔHf, kcal/mol:

-32.02

Dipole, Da:

6.27

IP(EA), eV:

 -8.42(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[4-carboxy-2-[[2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)CN)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations