Geometry & MOs

Info

ID:

218559

PubChem CID:

85089619

Reduced:

SN2F3O4C23H23 (1)

Stoich.:

AB2C3D4E23F23 (1)

Weight, g/mol:

480.16314

ΔHf, kcal/mol:

-239.06

Dipole, Da:

11.98

IP(EA), eV:

 -9.44(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)-methylamino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3C=CC4=NC(=O)C=C(C4=C3)C(F)(F)F)CO

DOS

IR

Vibrations