Geometry & MOs

Info

ID:	205126
PubChem CID:	80059239
Reduced:	FSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	271.140614
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	6.24
IP(EA), eV:	-10.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations