Geometry & MOs

Info

ID:

307261

PubChem CID:

125299299

Reduced:

N3O6H23C28 (1)

Stoich.:

A3B6C23D28 (1)

Weight, g/mol:

497.158685

ΔHf, kcal/mol:

-102.02

Dipole, Da:

7.57

IP(EA), eV:

 -9.18(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(3aS,4R,7R)-7-(furan-2-yl)-3,5-dioxo-2-phenyl-1,3a,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-4-yl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H](CC(=O)C2=C1N=C3[C@H]([C@@H]2C4=CC=C(C=C4)OCC(=O)O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CO6

DOS

IR

Vibrations