Geometry & MOs

Info

ID:	46821
PubChem CID:	10527596
Reduced:	NO4C28H37 (1)
Stoich.:	AB4C28D37 (1)
Weight, g/mol:	451.158407
ΔH_f, kcal/mol:	-168.87
Dipole, Da:	2.09
IP(EA), eV:	-8.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)N(C3)CCC4=CC=C(C=C4)O)CCC=C2C(=O)O)C

DOS

IR

Vibrations