Geometry & MOs

Info

ID:	212100
PubChem CID:	81059498
Reduced:	SN2O5C11H18 (1)
Stoich.:	AB2C5D11E18 (1)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-190.05
Dipole, Da:	3.63
IP(EA), eV:	-9.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CN(C(=C1)C(=O)O)C

DOS

IR

Vibrations