Geometry & MOs

Info

ID:

334043

PubChem CID:

127252595

Reduced:

N3O4H19C23 (1)

Stoich.:

A3B4C19D23 (1)

Weight, g/mol:

673.146322

ΔHf, kcal/mol:

-66.38

Dipole, Da:

8.1

IP(EA), eV:

 -8.19(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethyl-2',3,4',6'-tetraoxospiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-5'-yl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations