Geometry & MOs

Info

ID:	213345
PubChem CID:	81063497
Reduced:	BrClFNSO4C12H14 (1)
Stoich.:	ABCDEF4G12H14 (1)
Weight, g/mol:	337.055085
ΔH_f, kcal/mol:	-195.7
Dipole, Da:	7.16
IP(EA), eV:	-9.63(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-ethoxyethyl(methyl)carbamoyl]-4-fluoro-2-methylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=C(C=C1Br)F)S(=O)(=O)Cl

DOS

IR

Vibrations