Geometry & MOs

Info

ID:

334341

PubChem CID:

127252893

Reduced:

N5O5H21C23 (1)

Stoich.:

A5B5C21D23 (1)

Weight, g/mol:

674.141571

ΔHf, kcal/mol:

-93.41

Dipole, Da:

4.1

IP(EA), eV:

 -8.93(-1.08)

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCC(=O)NC5=CNN=C5)OC

DOS

IR

Vibrations