Geometry & MOs

Info

ID:	227438
PubChem CID:	87561754
Reduced:	F3N3O3C15H16 (1)
Stoich.:	A3B3C3D15E16 (1)
Weight, g/mol:	258.056195
ΔH_f, kcal/mol:	-187.11
Dipole, Da:	2.98
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-4-phenoxybutane-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CNN(C(C1=O)C(=O)N(C)OC)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations