Geometry & MOs

Info

ID:

334350

PubChem CID:

127252902

Reduced:

ClO5N7H24C27 (1)

Stoich.:

AB5C7D24E27 (1)

Weight, g/mol:

663.198357

ΔHf, kcal/mol:

-34.14

Dipole, Da:

4.17

IP(EA), eV:

 -8.88(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-5'-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]-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

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C5=NNC(=N5)CN6C=NC=N6

DOS

IR

Vibrations