Geometry & MOs

Info

ID:	26367
PubChem CID:	645414
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	303.100777
ΔH_f, kcal/mol:	-93.57
Dipole, Da:	4.82
IP(EA), eV:	-8.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-3-(4-methylpyridin-2-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CS(=O)CC(=O)NC2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations