Geometry & MOs

Info

ID:	441538
PubChem CID:	135235905
Reduced:	O2N3F4H11C17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	361.07482
ΔH_f, kcal/mol:	-160.97
Dipole, Da:	2.2
IP(EA), eV:	-9.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfanylpyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2=CN=CN=C2OC3=CN=C(C=C3)C(F)F)F)F

DOS

IR

Vibrations