Geometry & MOs

Info

ID:	55179
PubChem CID:	17389859
Reduced:	NNaSO3C7H8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	234.011743
ΔH_f, kcal/mol:	-152.84
Dipole, Da:	6.77
IP(EA), eV:	-9.59(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-methylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)S(=O)(=O)[O-])C.[Na+]

DOS

IR

Vibrations