Geometry & MOs

Info

ID:	381404
PubChem CID:	134972124
Reduced:	O9C14H20 (1)
Stoich.:	A9B14C20 (1)
Weight, g/mol:	214.02998
ΔH_f, kcal/mol:	-416.64
Dipole, Da:	2.42
IP(EA), eV:	-10.75(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-hydroxyphenyl)sulfinylacetate

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations