Geometry & MOs

Info

ID:	402497
PubChem CID:	135056190
Reduced:	FNS2O3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	427.128729
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	8.16
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methoxyphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@H](C1=CC=CC=C1)[C@H](F)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations