Geometry & MOs

Info

ID:	213303
PubChem CID:	81063394
Reduced:	BrClNSO4C13H17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	335.059422
ΔH_f, kcal/mol:	-158.12
Dipole, Da:	5.08
IP(EA), eV:	-9.82(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-ethoxyethyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations