Geometry & MOs

Info

ID:

191512

PubChem CID:

78155127

Reduced:

N3O6C28H33 (1)

Stoich.:

A3B6C28D33 (1)

Weight, g/mol:

594.266064

ΔHf, kcal/mol:

-27.04

Dipole, Da:

2.27

IP(EA), eV:

 -8.69(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[(3-chlorophenyl)methyl]-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3CO2)CCCCOCC4=NN5C=CC=CC5=C4.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations