Geometry & MOs

Info

ID:	78784
PubChem CID:	49720306
Reduced:	SO4N5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	4.08
IP(EA), eV:	-9.03(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC2=C1N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations