Geometry & MOs

Info

ID:	395127
PubChem CID:	135024700
Reduced:	SO3F7H13C14 (1)
Stoich.:	AB3C7D13E14 (1)
Weight, g/mol:	403.89527
ΔH_f, kcal/mol:	-447.65
Dipole, Da:	9.13
IP(EA), eV:	-9.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)phenol

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C

DOS

IR

Vibrations