Geometry & MOs

Info

ID:

173748

PubChem CID:

75678747

Reduced:

N2O2S3H9C12 (1)

Stoich.:

A2B2C3D9E12 (1)

Weight, g/mol:

354.108996

ΔHf, kcal/mol:

25.1

Dipole, Da:

6.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755197

Charge, e:

 -1

Chem-info

IUPAC name:

2-[4-(3,5-dioxo-2,3a,4,6,7,8-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)phenoxy]acetate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)OC)SC1=C3C(=NC(=S)S3)[O-]

DOS

IR

Vibrations