Geometry & MOs

Info

ID:	402501
PubChem CID:	135056201
Reduced:	FO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	426.144713
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	3.58
IP(EA), eV:	-10.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[4-(dimethylamino)phenyl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1C[C@H](C=C[C@@H]1OC(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations