Geometry & MOs

Info

ID:	170112
PubChem CID:	75197578
Reduced:	N2F3O4H15C20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-190.48
Dipole, Da:	8.39
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations