Geometry & MOs

Info

ID:	280529
PubChem CID:	103849761
Reduced:	FSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-204.34
Dipole, Da:	5.7
IP(EA), eV:	-9.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(2-hydroxy-3-propan-2-yloxypropoxy)benzonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCCS(=O)(=O)C(C)(C)C)F

DOS

IR

Vibrations