Geometry & MOs

Info

ID:

85443

PubChem CID:

49875188

Reduced:

S2N3O5H19C27 (1)

Stoich.:

A2B3C5D19E27 (1)

Weight, g/mol:

473.027076

ΔHf, kcal/mol:

-49.21

Dipole, Da:

4.81

IP(EA), eV:

 -8.87(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-6-chloro-3-[hydroxy-[[6-[(E)-2-phenylethenyl]pyridin-2-yl]amino]methylidene]-2-methyl-1,1-dioxothieno[2,3-e]thiazin-4-one

Drug info:

PubChemData

Smile

CN1/C(=C(\NC2=CC=CC(=N2)C3=CC4=CC=CC=C4O3)/O)/C(=O)C5=C(S1(=O)=O)C=C(S5)C6=CC=CC=C6

DOS

IR

Vibrations