Geometry & MOs

Info

ID:	242661
PubChem CID:	97857794
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	285.119878
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	2.9
IP(EA), eV:	-9.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)O[C@@H](C)C3=NC=CS3

DOS

IR

Vibrations