Geometry & MOs

Info

ID:	68740
PubChem CID:	46509012
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	453.02456
ΔH_f, kcal/mol:	-159.0
Dipole, Da:	5.14
IP(EA), eV:	-9.78(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations