Geometry & MOs

Info

ID:

218260

PubChem CID:

85089100

Reduced:

NO5H25C27 (1)

Stoich.:

AB5C25D27 (1)

Weight, g/mol:

443.141596

ΔHf, kcal/mol:

-49.89

Dipole, Da:

4.37

IP(EA), eV:

 -9.07(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-15-[3-(2-oxo-3,4-dihydroquinolin-1-yl)prop-1-ynyl]-16-thia-2,4,5,11-tetrazatetracyclo[11.3.0.02,6.07,11]hexadeca-1(13),3,5,14-tetraen-12-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C=CC(=CN(CC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations