Geometry & MOs

Info

ID:

66789

PubChem CID:

46505273

Reduced:

ClO3S3N4H11C18 (1)

Stoich.:

AB3C3D4E11F18 (1)

Weight, g/mol:

516.069275

ΔHf, kcal/mol:

33.56

Dipole, Da:

4.57

IP(EA), eV:

 -8.9(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=NSC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CS4)Cl)/C(=N)N21

DOS

IR

Vibrations