Geometry & MOs

Info

ID:	49590
PubChem CID:	11533320
Reduced:	FN2O4C29H35 (1)
Stoich.:	AB2C4D29E35 (1)
Weight, g/mol:	494.224868
ΔH_f, kcal/mol:	-168.33
Dipole, Da:	4.16
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-N-[4-[[5-methyl-4-[methyl(2-phenylethyl)amino]pyridin-2-yl]amino]cyclohexyl]benzamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.C[C@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O

DOS

IR

Vibrations