Geometry & MOs

Info

ID:

191785

PubChem CID:

78187899

Reduced:

N2O4C25H25 (2)

Stoich.:

A2B4C25D25 (2)

Weight, g/mol:

834.362865

ΔHf, kcal/mol:

-231.66

Dipole, Da:

6.39

IP(EA), eV:

 -9.13(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1,6-diphenyl-5-[[2-[(2-phenylmethoxyacetyl)amino]benzoyl]amino]hexan-2-yl]-2-[(2-phenylmethoxyacetyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(C(C(CC3=CC=CC=C3)NC(=O)C4=CC=CC(=C4NC(=O)OCC5=CC=CC=C5)C)O)O)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations