Geometry & MOs

Info

ID:

178139

PubChem CID:

76285252

Reduced:

F2S2N3O6H17C23 (1)

Stoich.:

A2B2C3D6E17F23 (1)

Weight, g/mol:

583.221954

ΔHf, kcal/mol:

-213.98

Dipole, Da:

6.04

IP(EA), eV:

 -8.82(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-hydroxy-7-[4-[3-methyl-2-oxo-8-(1-phenylpyrrol-3-yl)imidazo[4,5-c]quinolin-1-yl]phenyl]-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)NS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations