Geometry & MOs

Info

ID:

191872

PubChem CID:

78195867

Reduced:

FN3O4H26C28 (1)

Stoich.:

AB3C4D26E28 (1)

Weight, g/mol:

547.248249

ΔHf, kcal/mol:

-135.85

Dipole, Da:

5.71

IP(EA), eV:

 -8.92(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1-[(4-fluorophenyl)methyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C(CCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

DOS

IR

Vibrations