Geometry & MOs

Info

ID:	33481
PubChem CID:	7886686
Reduced:	FON2S2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	374.03784
ΔH_f, kcal/mol:	-2.83
Dipole, Da:	2.84
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclopentyl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCCOC4=CC=CC=C4F

DOS

IR

Vibrations