Geometry & MOs

Info

ID:	299992
PubChem CID:	118043761
Reduced:	ClFON6H18C23 (1)
Stoich.:	ABCD6E18F23 (1)
Weight, g/mol:	451.136843
ΔH_f, kcal/mol:	38.18
Dipole, Da:	5.05
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations