Geometry & MOs

Info

ID:

334392

PubChem CID:

127252944

Reduced:

ON4C23H34 (1)

Stoich.:

AB4C23D34 (1)

Weight, g/mol:

629.137649

ΔHf, kcal/mol:

-17.63

Dipole, Da:

5.24

IP(EA), eV:

 -8.22(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-5'-[3-(difluoromethoxy)phenyl]-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

CC(C)CC1=CC(=NN1)C(=O)N2CCCC3=C[C@H]4CC(C32)CN5C4CCCC5

DOS

IR

Vibrations