Geometry & MOs

Info

ID:

127239

PubChem CID:

50996041

Reduced:

FN4O5C27H31 (1)

Stoich.:

AB4C5D27E31 (1)

Weight, g/mol:

540.238413

ΔHf, kcal/mol:

-189.68

Dipole, Da:

9.71

IP(EA), eV:

 -8.92(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-(cyclopropylmethoxy)-3-fluoro-5-methoxyphenyl]-N-[(3S,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=NC=CC(=C2N1)C3=CC(=C(C=C3OCC4CC4)OC)F)C(=O)NC5CCN(CC5)C(=O)CO

DOS

IR

Vibrations