Geometry & MOs

Info

ID:

169386

PubChem CID:

75097944

Reduced:

ClNO9H24C29 (1)

Stoich.:

ABC9D24E29 (1)

Weight, g/mol:

617.09839

ΔHf, kcal/mol:

-290.72

Dipole, Da:

6.51

IP(EA), eV:

 -9.88(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[3-bromo-5-ethoxy-4-[3-(4-methylphenoxy)propoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations