Geometry & MOs

Info

ID:

441426

PubChem CID:

135234639

Reduced:

ClN2F3O3H28C30 (1)

Stoich.:

AB2C3D3E28F30 (1)

Weight, g/mol:

534.233014

ΔHf, kcal/mol:

-208.07

Dipole, Da:

6.68

IP(EA), eV:

 -8.46(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-fluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methoxyphenyl]-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1[C@@H](CC2=C([C@H]1C3=C(C=C(C=C3Cl)C4=CC(=C(C=C4)C(=O)O)OC)F)NC5=CC=CC=C25)CF)F

DOS

IR

Vibrations