Geometry & MOs

Info

ID:	57699
PubChem CID:	24262967
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	287.082744
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	5.97
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O)C

DOS

IR

Vibrations