Geometry & MOs

Info

ID:

66790

PubChem CID:

46505275

Reduced:

ClS2N4O4H21C23 (1)

Stoich.:

AB2C4D4E21F23 (1)

Weight, g/mol:

517.028139

ΔHf, kcal/mol:

-22.96

Dipole, Da:

4.33

IP(EA), eV:

 -8.7(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SC)Cl)OC

DOS

IR

Vibrations