Geometry & MOs

Info

ID:	68702
PubChem CID:	46508930
Reduced:	NSO6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	396.99834
ΔH_f, kcal/mol:	-152.84
Dipole, Da:	5.97
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl 3-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations