Geometry & MOs

Info

ID:

123675

PubChem CID:

50858522

Reduced:

ClSN3O3C25H26 (1)

Stoich.:

ABC3D3E25F26 (1)

Weight, g/mol:

483.138341

ΔHf, kcal/mol:

-90.31

Dipole, Da:

7.59

IP(EA), eV:

 -8.1(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C=C2)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=CC=C(C=C4)Cl)C)(C)C

DOS

IR

Vibrations