Geometry & MOs

Info

ID:	128543
PubChem CID:	51049483
Reduced:	SN3O6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	399.114044
ΔH_f, kcal/mol:	-183.65
Dipole, Da:	5.91
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)CC(C(=O)NCC(=O)O)N

DOS

IR

Vibrations