Geometry & MOs

Info

ID:

221221

PubChem CID:

85261534

Reduced:

N5O6C28H37 (1)

Stoich.:

A5B6C28D37 (1)

Weight, g/mol:

540.298156

ΔHf, kcal/mol:

-234.73

Dipole, Da:

2.48

IP(EA), eV:

 -9.11(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-(2-pyridin-4-ylethylsulfonylamino)hexanoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN)NC(=O)C(CC3=CC=C(C=C3)O)N)C(=O)O

DOS

IR

Vibrations