Geometry & MOs

Info

ID:

336136

PubChem CID:

127255143

Reduced:

CoCl2O2N4S4H26C32 (1)

Stoich.:

AB2C2D4E4F26G32 (1)

Weight, g/mol:

330.082741

ΔHf, kcal/mol:

153.25

Dipole, Da:

11.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.419787

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-hydroxypropan-2-yl]-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)[S-].CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)[S-].[Cl-].[Cl-].[Co+2]

DOS

IR

Vibrations