Geometry & MOs

Info

ID:

223901

PubChem CID:

85335735

Reduced:

N4O5C15H23 (2)

Stoich.:

A4B5C15D23 (2)

Weight, g/mol:

684.172925

ΔHf, kcal/mol:

-479.44

Dipole, Da:

8.02

IP(EA), eV:

 -9.73(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]ethyl]cyclopentanecarbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CN

DOS

IR

Vibrations