Geometry & MOs

Info

ID:

186014

PubChem CID:

77378961

Reduced:

FCl2N5O5C22H24 (1)

Stoich.:

AB2C5D5E22F24 (1)

Weight, g/mol:

543.330836

ΔHf, kcal/mol:

-212.24

Dipole, Da:

6.86

IP(EA), eV:

 -9.16(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(2,3-dihydroxypropyl)-N-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-(naphthalen-1-ylmethyl)butanediamide

Drug info:

PubChemData

Smile

CN(C(CC(CO)O)COC(=O)NC1=NC2=C(N1)C=C(C=C2)Cl)C(=O)NCC3=C(C(=CC=C3)F)Cl

DOS

IR

Vibrations