Geometry & MOs

Info

ID:

81862

PubChem CID:

49855268

Reduced:

FN3O5C26H26 (1)

Stoich.:

AB3C5D26E26 (1)

Weight, g/mol:

521.077632

ΔHf, kcal/mol:

-157.79

Dipole, Da:

10.49

IP(EA), eV:

 -9.27(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-5-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

DOS

IR

Vibrations