Geometry & MOs

Info

ID:

81863

PubChem CID:

49855269

Reduced:

ClSF2O2N3H18C27 (1)

Stoich.:

ABC2D2E3F18G27 (1)

Weight, g/mol:

521.077632

ΔHf, kcal/mol:

-63.3

Dipole, Da:

6.34

IP(EA), eV:

 -9.01(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=O)/C(=C\C3=CC=C(C=C3)F)/SC2=N1)C4=CC=C(C=C4)Cl)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations