Geometry & MOs

Info

ID:

334572

PubChem CID:

127253247

Reduced:

O3N5H19C22 (1)

Stoich.:

A3B5C19D22 (1)

Weight, g/mol:

630.151741

ΔHf, kcal/mol:

-31.7

Dipole, Da:

2.54

IP(EA), eV:

 -9.16(-1.02)

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'-(2-oxo-1H-quinolin-3-yl)spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCCC(=O)NC5=NC=CN5

DOS

IR

Vibrations