Geometry & MOs

Info

ID:	142912
PubChem CID:	53113482
Reduced:	F2N2O2H16C23 (1)
Stoich.:	A2B2C2D16E23 (1)
Weight, g/mol:	401.120941
ΔH_f, kcal/mol:	-77.91
Dipole, Da:	2.24
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations