Geometry & MOs

Info

ID:

334741

PubChem CID:

127253416

Reduced:

ClO9C34H41 (1)

Stoich.:

AB9C34D41 (1)

Weight, g/mol:

690.209256

ΔHf, kcal/mol:

-354.98

Dipole, Da:

9.05

IP(EA), eV:

 -8.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethyl-5'-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(CC(=O)OC)C2=C([C@@]3([C@@H](CC2=O)C)C(=O)C4=C(O3)C(=C(C=C4OC)OC)Cl)O

DOS

IR

Vibrations