Geometry & MOs

Info

ID:	213957
PubChem CID:	81065590
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	4.0
IP(EA), eV:	-9.16(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(ethylsulfamoyl)anilino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CN1C=CC=C1

DOS

IR

Vibrations