Geometry & MOs

Info

ID:	34309
PubChem CID:	7890716
Reduced:	BrO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	327.077658
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	2.48
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxocyclohexyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2O)Br

DOS

IR

Vibrations