Geometry & MOs

Info

ID:

136804

PubChem CID:

52103137

Reduced:

NS2F3O3C24H24 (1)

Stoich.:

AB2C3D3E24F24 (1)

Weight, g/mol:

469.157246

ΔHf, kcal/mol:

-210.21

Dipole, Da:

5.09

IP(EA), eV:

 -8.99(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN(CC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)SC

DOS

IR

Vibrations