Geometry & MOs

Info

ID:	17317
PubChem CID:	492825
Reduced:	OSCl2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	406.042188
ΔH_f, kcal/mol:	36.9
Dipole, Da:	5.4
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[1-(6-chloro-5-phenylmethoxypyridin-2-yl)ethylsulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C1=NC(=C(C=C1)OCC2=CC=CC=C2)Cl)SC3=NC(=CC(=N3)Cl)N

DOS

IR

Vibrations