Geometry & MOs

Info

ID:	227487
PubChem CID:	87561839
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	345.948695
ΔH_f, kcal/mol:	-15.78
Dipole, Da:	5.16
IP(EA), eV:	-8.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-sulfooxyethylsulfonyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)N(C=C3/C=N\O)CC4CC4)C

DOS

IR

Vibrations