Geometry & MOs

Info

ID:	173880
PubChem CID:	75692931
Reduced:	F2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	290.00291
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	5.49
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-(thiadiazol-4-yl)ethenyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C(=CC2=C(C=CC(=C2)F)F)C#N

DOS

IR

Vibrations