Geometry & MOs

Info

ID:	231496
PubChem CID:	87573921
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	247.991008
ΔH_f, kcal/mol:	-165.19
Dipole, Da:	7.83
IP(EA), eV:	-10.45(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-chloro-2-methoxyphenyl)ethenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(=O)O)NC(=O)C

DOS

IR

Vibrations