Geometry & MOs

Info

ID:	214039
PubChem CID:	81065891
Reduced:	NO4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	317.093309
ΔH_f, kcal/mol:	-201.77
Dipole, Da:	3.27
IP(EA), eV:	-10.13(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations