Geometry & MOs

Info

ID:	127261
PubChem CID:	50996559
Reduced:	OF3N5H20C24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	439.102686
ΔH_f, kcal/mol:	-102.83
Dipole, Da:	6.92
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-difluorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC(=C21)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)CC4=C5C=CNC5=NC=C4

DOS

IR

Vibrations