Geometry & MOs

Info

ID:

66785

PubChem CID:

46505260

Reduced:

S2N4O5C24H24 (1)

Stoich.:

A2B4C5D24E24 (1)

Weight, g/mol:

512.118812

ΔHf, kcal/mol:

-53.08

Dipole, Da:

2.16

IP(EA), eV:

 -8.85(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[3,5-dimethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2OC)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SC)OC

DOS

IR

Vibrations