Geometry & MOs

Info

ID:	219873
PubChem CID:	85164991
Reduced:	FO16C25H35 (1)
Stoich.:	AB16C25D35 (1)
Weight, g/mol:	610.16951
ΔH_f, kcal/mol:	-766.7
Dipole, Da:	4.27
IP(EA), eV:	-10.29(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis(benzenesulfonyl)-2,5-bis(phenylmethoxy)hexane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)CF)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations