Geometry & MOs

Info

ID:	148047
PubChem CID:	53787709
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	308.046693
ΔH_f, kcal/mol:	-106.36
Dipole, Da:	1.88
IP(EA), eV:	-10.74(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-4-hydroxyphenyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCCC1CCC1C(=O)OC

DOS

IR

Vibrations