Geometry & MOs

Info

ID:	46658
PubChem CID:	10526021
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	417.19738
ΔH_f, kcal/mol:	-188.16
Dipole, Da:	2.96
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-[(4-methylphenyl)sulfonylamino]hexyl]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1[C@H](OS(=O)O1)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations