Geometry & MOs

Info

ID:	213346
PubChem CID:	81063499
Reduced:	ClFNSO4C13H17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	400.94995
ΔH_f, kcal/mol:	-206.5
Dipole, Da:	5.48
IP(EA), eV:	-9.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-ethoxyethyl(methyl)carbamoyl]-2-fluorobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations