Geometry & MOs

Info

ID:

66793

PubChem CID:

46505278

Reduced:

ClS2N4O4H21C23 (1)

Stoich.:

AB2C4D4E21F23 (1)

Weight, g/mol:

512.118812

ΔHf, kcal/mol:

-17.67

Dipole, Da:

4.1

IP(EA), eV:

 -8.91(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=CC(=C(C(=C3)Cl)OCCOC4=CC=CC=C4)OC)/C(=N)N21

DOS

IR

Vibrations