Geometry & MOs

Info

ID:	295053
PubChem CID:	117513222
Reduced:	NSF2O5C13H15 (1)
Stoich.:	ABC2D5E13F15 (1)
Weight, g/mol:	336.033745
ΔH_f, kcal/mol:	-275.64
Dipole, Da:	3.64
IP(EA), eV:	-9.91(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3,4-bis(methylsulfonyl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2CC(CN2)C(=O)O)F)S(=O)(=O)C)F

DOS

IR

Vibrations