Geometry & MOs

Info

ID:	447642
PubChem CID:	135284410
Reduced:	OF3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	463.203798
ΔH_f, kcal/mol:	-184.46
Dipole, Da:	2.67
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-chloro-4-[2-[(3-fluorocyclopentyl)amino]pyridin-4-yl]phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3CCNCC3)C(F)(F)F)N

DOS

IR

Vibrations