Geometry & MOs

Info

ID:

220946

PubChem CID:

85244573

Reduced:

NSO14C17H29 (1)

Stoich.:

ABC14D17E29 (1)

Weight, g/mol:

503.091292

ΔHf, kcal/mol:

-598.98

Dipole, Da:

6.33

IP(EA), eV:

 -10.21(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-azido-4-[(8-hydroxyquinolin-5-yl)methylidene]-3-oxo-8-phenyl-5-thia-2,11,12,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,9,11-tetraene-7-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCC=C)CO)O)OC2C(C(C(C(O2)CO)O)OS(=O)(=O)O)O

DOS

IR

Vibrations