Geometry & MOs

Info

ID:

214603

PubChem CID:

85083263

Reduced:

BrPC34H38 (1)

Stoich.:

ABC34D38 (1)

Weight, g/mol:

557.120289

ΔHf, kcal/mol:

40.99

Dipole, Da:

13.15

IP(EA), eV:

 -7.52(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[6-fluoro-1-(3-methylbutyl)-2,4-dioxoquinolin-3-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]-2H-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CCCC5(C)C)CC4.[Br-]

DOS

IR

Vibrations