Geometry & MOs

Info

ID:	124257
PubChem CID:	50876500
Reduced:	BrNSO2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	346.978584
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	5.44
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloropyridin-2-yl) 4-ethoxybenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NC)Br)C

DOS

IR

Vibrations