Geometry & MOs

Info

ID:	300002
PubChem CID:	118043789
Reduced:	ClFON7H17C22 (1)
Stoich.:	ABCD7E17F22 (1)
Weight, g/mol:	483.077742
ΔH_f, kcal/mol:	50.77
Dipole, Da:	8.21
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dichlorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3Cl)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations