Geometry & MOs

Info

ID:

435725

PubChem CID:

135192253

Reduced:

F2O2N4H18C29 (1)

Stoich.:

A2B2C4D18E29 (1)

Weight, g/mol:

596.248664

ΔHf, kcal/mol:

27.15

Dipole, Da:

6.97

IP(EA), eV:

 -9.73(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[8-[8-fluoro-5-methyl-7-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-6-yl]-2-[3-(4-fluorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-7-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=C(C=C(C=C2)OC(=N)CC(=N)OC3=CC(=C(C=C3)C4=CC=C(C=C4)C#N)F)F

DOS

IR

Vibrations