Geometry & MOs

Info

ID:	432147
PubChem CID:	135172279
Reduced:	OSF3N6C31H41 (1)
Stoich.:	ABC3D6E31F41 (1)
Weight, g/mol:	477.218305
ΔH_f, kcal/mol:	-141.65
Dipole, Da:	6.24
IP(EA), eV:	-8.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(6-chloropyridin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)NCCCCCN)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations