Geometry & MOs

Info

ID:

335043

PubChem CID:

127253849

Reduced:

ClO9H15C25 (1)

Stoich.:

AB9C15D25 (1)

Weight, g/mol:

642.092034

ΔHf, kcal/mol:

-268.19

Dipole, Da:

1.68

IP(EA), eV:

 -9.05(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-5'-(4-chloro-3-nitrophenyl)-4,6-dimethoxy-1',3',8'-trimethylspiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CC(=O)O)Cl

DOS

IR

Vibrations