Geometry & MOs

Info

ID:	404283
PubChem CID:	135065654
Reduced:	O2F3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	302.082409
ΔH_f, kcal/mol:	-151.91
Dipole, Da:	4.46
IP(EA), eV:	-9.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]sulfonylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2(C(O2)C(=O)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations