Geometry & MOs

Info

ID:	168784
PubChem CID:	75018344
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	698.098046
ΔH_f, kcal/mol:	-42.59
Dipole, Da:	4.36
IP(EA), eV:	-8.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-2-azabicyclo[2.2.2]octane-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N)NC1=CC(=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations