Geometry & MOs

Info

ID:	90059
PubChem CID:	49966071
Reduced:	SO2F3N3H12C15 (1)
Stoich.:	AB2C3D3E12F15 (1)
Weight, g/mol:	444.111934
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	7.29
IP(EA), eV:	-9.04(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C(=C3C4=C(C(=O)NC(=O)N4)SC3=N2)C(F)(F)F

DOS

IR

Vibrations