Geometry & MOs

Info

ID:	43949
PubChem CID:	10322310
Reduced:	NO2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	466.169306
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	2.57
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-chlorophenyl)sulfonylamino]-2-methyl-4-(3-pyridin-3-ylpropyl)octanoic acid

Drug info:

PubChemData

Smile

CC1CCCN1CCCN(C/C(=C/C2=CC=CC=C2)/C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations