Geometry & MOs

Info

ID:	320717
PubChem CID:	126663088
Reduced:	FO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	344.086942
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	6.22
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(3,3,5,5,5-pentafluoro-4,4-dimethylpentan-2-yl)sulfonylbenzene

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)N(CN2C3CC=C(C=C3)F)CC4=CC(=CC=C4)C(=O)O)CCCN5C6=CC=CC=C6NC5=O

DOS

IR

Vibrations