Geometry & MOs

Info

ID:	124750
PubChem CID:	50894931
Reduced:	NSO6C17H19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	379.108959
ΔH_f, kcal/mol:	-193.69
Dipole, Da:	5.52
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations