Geometry & MOs

Info

ID:

181742

PubChem CID:

76787014

Reduced:

SO3N8C33H42 (1)

Stoich.:

AB3C8D33E42 (1)

Weight, g/mol:

555.194026

ΔHf, kcal/mol:

-5.84

Dipole, Da:

3.87

IP(EA), eV:

 -8.54(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[6-[4-(6-methyl-4-oxohept-5-enoyl)piperazin-1-yl]pyridin-3-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C2CNNC2C1)C3=NC4=C(C(=N3)N5CCOCC5)SC(=C4)CN6CCN(CC6)C(=O)CCC(=O)C=CC7=CC=NC=C7

DOS

IR

Vibrations