Geometry & MOs

Info

ID:	69136
PubChem CID:	46519493
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-164.78
Dipole, Da:	4.49
IP(EA), eV:	-8.73(-0.19)
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-1H-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C(C)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations