Geometry & MOs

Info

ID:	59796
PubChem CID:	24897518
Reduced:	ClFSN3C23H25 (1)
Stoich.:	ABCD3E23F25 (1)
Weight, g/mol:	468.19436
ΔH_f, kcal/mol:	21.68
Dipole, Da:	2.15
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[7-[4-[(R)-methylsulfinyl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(C1)NCCCCSC2=NC=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations