Geometry & MOs

Info

ID:	233928
PubChem CID:	92250595
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	498.189852
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	4.72
IP(EA), eV:	-8.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-1,1-bis(ethylsulfanyl)-5-trityloxypentane-2,3,4-triol

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=CC=C2)OC)C[S@@](=O)CC(=O)NC(C)C

DOS

IR

Vibrations