Geometry & MOs

Info

ID:	164455
PubChem CID:	74402271
Reduced:	ClNSF3O3H15C19 (1)
Stoich.:	ABCD3E3F15G19 (1)
Weight, g/mol:	425.090864
ΔH_f, kcal/mol:	-210.95
Dipole, Da:	5.86
IP(EA), eV:	-9.78(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-5-oxo-2-[4-(trifluoromethyl)phenyl]sulfonylhexanenitrile

Drug info:

PubChemData

Smile

CC(=O)CCC(C#N)(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations