Geometry & MOs

Info

ID:	300006
PubChem CID:	118043802
Reduced:	FOCl2N6H15C22 (1)
Stoich.:	ABC2D6E15F22 (1)
Weight, g/mol:	435.101064
ΔH_f, kcal/mol:	32.41
Dipole, Da:	6.88
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C(=CC=C2)F)C(=O)N1C3=C(C=CC(=C3)Cl)Cl)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations