Geometry & MOs

Info

ID:	276236
PubChem CID:	103821551
Reduced:	NSO4C13H27 (1)
Stoich.:	ABC4D13E27 (1)
Weight, g/mol:	311.096698
ΔH_f, kcal/mol:	-230.98
Dipole, Da:	5.31
IP(EA), eV:	-10.14(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)CCC(C)(C)C

DOS

IR

Vibrations