Geometry & MOs

Info

ID:	402498
PubChem CID:	135056192
Reduced:	FNS2O4C20H26 (1)
Stoich.:	ABC2D4E20F26 (1)
Weight, g/mol:	334.139137
ΔH_f, kcal/mol:	-164.54
Dipole, Da:	6.87
IP(EA), eV:	-8.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1,2-bis(3-methylphenyl)-2-phenylsulfanylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations