Geometry & MOs

Info

ID:	402109
PubChem CID:	135054408
Reduced:	FNS2O3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	678.316767
ΔH_f, kcal/mol:	-117.05
Dipole, Da:	8.78
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-tert-butylsulfanyl-1,4-ditrityloxybutan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations