Geometry & MOs

Info

ID:	17312
PubChem CID:	492472
Reduced:	SO7C15H20 (1)
Stoich.:	AB7C15D20 (1)
Weight, g/mol:	344.092974
ΔH_f, kcal/mol:	-288.47
Dipole, Da:	5.84
IP(EA), eV:	-9.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CSC(C2=CC=CC=C2)C(=O)O)O)O)O

DOS

IR

Vibrations