Geometry & MOs

Info

ID:	230890
PubChem CID:	87572205
Reduced:	FOSN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	544.105054
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	2.68
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenoxy)-2-(4-piperidin-4-ylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=CN=C(S2)N)F

DOS

IR

Vibrations