Geometry & MOs

Info

ID:	204967
PubChem CID:	80037645
Reduced:	ClNSF4H6C14 (1)
Stoich.:	ABCD4E6F14 (1)
Weight, g/mol:	317.05944
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	4.51
IP(EA), eV:	-9.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-chloro-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]pyridine

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C(=C(\C2=C(C=CC(=C2)C(F)(F)F)F)/Cl)/C#N

DOS

IR

Vibrations