Geometry & MOs

Info

ID:	34268
PubChem CID:	7890581
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	405.124609
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	2.1
IP(EA), eV:	-9.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations