Geometry & MOs

Info

ID:	68741
PubChem CID:	46509014
Reduced:	BrNSO5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	6.58
IP(EA), eV:	-9.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations