Geometry & MOs

Info

ID:	212943
PubChem CID:	81062370
Reduced:	BrNSO4C12H18 (1)
Stoich.:	ABCD4E12F18 (1)
Weight, g/mol:	335.01908
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	2.77
IP(EA), eV:	-9.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-ethoxyethyl)-N,3-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations