Geometry & MOs

Info

ID:	313791
PubChem CID:	126617736
Reduced:	SO2N3H11C18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	432.116859
ΔH_f, kcal/mol:	43.45
Dipole, Da:	6.4
IP(EA), eV:	-8.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-[(4-methylphenyl)methyl]-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C=C(N=C3S2)C(=O)NC4=CC5=C(C=C4)OC=C5

DOS

IR

Vibrations