Geometry & MOs

Info

ID:	213348
PubChem CID:	81063501
Reduced:	NSCl3O4C12H14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	333.080157
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	7.2
IP(EA), eV:	-9.75(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-ethoxyethyl(methyl)amino]-3-oxopropyl]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations