Geometry & MOs

Info

ID:	228217
PubChem CID:	87563682
Reduced:	S2F3O3H7C13 (1)
Stoich.:	A2B3C3D7E13 (1)
Weight, g/mol:	532.183459
ΔH_f, kcal/mol:	-212.51
Dipole, Da:	2.85
IP(EA), eV:	-8.57(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[4-[5-[4-(piperazine-1-carbonyl)phenyl]pyridin-3-yl]-6-pyridin-2-ylpyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations