Geometry & MOs

Info

ID:

334903

PubChem CID:

127253709

Reduced:

N3O8C25H29 (1)

Stoich.:

A3B8C25D29 (1)

Weight, g/mol:

647.178291

ΔHf, kcal/mol:

-282.29

Dipole, Da:

3.01

IP(EA), eV:

 -8.5(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-5'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-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

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C=C3)OC)OCC(=O)OC)O

DOS

IR

Vibrations