Geometry & MOs

Info

ID:

127238

PubChem CID:

50995921

Reduced:

OSF3N4C19H19 (1)

Stoich.:

ABC3D4E19F19 (1)

Weight, g/mol:

510.227848

ΔHf, kcal/mol:

-127.37

Dipole, Da:

3.95

IP(EA), eV:

 -9.0(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC(=O)[C@H](CC2=CC=CS2)N)C3=C(C=CC(=C3)C(F)(F)F)C#N

DOS

IR

Vibrations