Geometry & MOs

Info

ID:

446707

PubChem CID:

135277061

Reduced:

O2N3F4C27H33 (1)

Stoich.:

A2B3C4D27E33 (1)

Weight, g/mol:

528.232381

ΔHf, kcal/mol:

-237.35

Dipole, Da:

4.77

IP(EA), eV:

 -8.23(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R)-1-[2,6-difluoro-3-[2-(3-fluoropropylamino)ethylamino]phenyl]-6-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=CC(=C3C)OCCNCCCF)F)NC4=CC=CC=C24

DOS

IR

Vibrations