Geometry & MOs

Info

ID:	213297
PubChem CID:	81063377
Reduced:	FNSCl2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	396.97502
ΔH_f, kcal/mol:	-202.69
Dipole, Da:	5.74
IP(EA), eV:	-9.85(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations