Geometry & MOs

Info

ID:

191799

PubChem CID:

78188488

Reduced:

N5O5C39H47 (1)

Stoich.:

A5B5C39D47 (1)

Weight, g/mol:

651.34207

ΔHf, kcal/mol:

-189.14

Dipole, Da:

9.28

IP(EA), eV:

 -9.36(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-(tert-butylcarbamoyl)-5-propan-2-ylphenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

DOS

IR

Vibrations