Geometry & MOs

Info

ID:

123932

PubChem CID:

50865804

Reduced:

SO2N4C34H34 (1)

Stoich.:

AB2C4D34E34 (1)

Weight, g/mol:

475.192963

ΔHf, kcal/mol:

27.26

Dipole, Da:

8.36

IP(EA), eV:

 -7.93(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(2,3-dimethylphenyl)-5-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CCC5=CNC6=CC=CC=C65)C)(C)C

DOS

IR

Vibrations