Geometry & MOs

Info

ID:	333980
PubChem CID:	127252532
Reduced:	ClN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	485.098978
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	4.41
IP(EA), eV:	-9.0(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethylspiro[1-benzofuran-2,7'-8,9-dihydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations