Geometry & MOs

Info

ID:

334337

PubChem CID:

127252889

Reduced:

O2H4C7 (4)

Stoich.:

A2B4C7 (4)

Weight, g/mol:

649.182707

ΔHf, kcal/mol:

-191.28

Dipole, Da:

7.19

IP(EA), eV:

 -8.72(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-5'-(4-methoxy-3-prop-2-enoxyphenyl)-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

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(O3)C5=CC=CC=C5OC4=O)C6=C(C7=CC=CC=C7OC6=O)O

DOS

IR

Vibrations